X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 293.15 The protein was crystallized at 17.6 mg/ml in 25 mM Tris-HCl pH 7.6, 10% v/v glycerol, 0.1 mM ZnCl2, and 2 mM dithiothreitol. Initial screening was performed on a 96-Well MRC 2-Drop polystyrene Crystallization Plate (SWISSCI). From the initial hit, crystallization was further refined and performed aerobically at 20 degrees Celsius using the sitting drop method on CombiClover Jr crystallization plates (Molecular Dimensions). The reservoir chamber was filled with 100 ul of the crystallization solution containing: 50 % (v/v) Polyethylene glycol 200, 100 mM Sodium Potassium phosphate pH 6.2, and 200 mM Sodium chloride. The crystallization drop was formed by spotting 0.9 ul of purified protein with 0.9 ul of precipitant.
Unit Cell:
a: 69.511 Å b: 85.792 Å c: 155.797 Å α: 90.00° β: 99.05° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.46
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT FREE R-VALUE 1.57 27.88 82182 4225 65.36 0.1744 0.1953 37.47
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.57 153.86 90.6 0.062 ? 15.7 7.0 ? 82269 ? ? ?
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.57 1.72 57.2 ? ? 1.5 6.8 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE BM07 0.97951 ESRF BM07
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
PDB_EXTRACT data extraction .
autoPROC data reduction .
autoPROC data scaling .
PHASER phasing .
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