X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Crystallization drops were set up using the sitting drop vapor diffusion method with a mosquito crystallization robot from SPT lab tech. Plate shaped crystals grew over a few days at 295 K in a 200 nl drop containing 1:1 protein to crystallization buffer 0.2 M NaCl and 20 % (w/v) PEG3350 (condition A6 from PEG/Ion screen (Hampton Research)) to which 30 nl diluted seed stock had been added. The seed stock was prepared from microcrystals grown in a drop from the SG1 (Shotgun) screen (Molecular Dimensions) condition B12 (magnesium formate dihydrate and 20 % (w/v) PEG3350) (200826 plate PI seeding A6).
Unit Cell:
a: 156.713 Å b: 56.412 Å c: 153.746 Å α: 90.000° β: 104.215° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.28 Solvent Content: 46.04
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 2.36 75.96 51213 2586 94.12 0.2283 0.2779 47.22
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
2.36 75.96 94.12 0.048 ? 6.502 7.0 ? 51213 ? ? 42.64
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 2.36 2.44 ? ? ? ? ? ?
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 DIAMOND BEAMLINE I03 0.976246 Diamond I03
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
XDS data reduction .
pointless data scaling .
PHASER phasing .
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