X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293.15 Crystals were obtained on a Junior Clover plate (Jena Bioscience, Germany) using 100 uL crystallisation solution under an anaerobic atmosphere of 97:3% N2:H2. The crystallization reservoir contained 20% w/v Polyethylene glycol 3,350 and 200 mM tri-Potassium citrate. 1 ul of purified protein solution at 22 mg/mL in 25 mM Tris/HCl, 10% v/v glycerol and 2 mM dithiothreitol was mixed with 1 ul of the crystallization solution. The crystal was exposed to air for 10 min, then soaked in the crystallization solution supplemented with 100 mM of freshly prepared sodium dithionite. Finally the crystal was soaked in the crystallization solution supplemented with 20% v/v glycerol and 90 mM sodium dithionite prior freezing.
Unit Cell:
a: 122.897 Å b: 122.897 Å c: 122.897 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 3
Crystal Properties:
Matthew's Coefficient: 2.46 Solvent Content: 50.08
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 2.08 86.90 36283 1781 96.75 0.1971 0.2295 30.37
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
2.078 86.901 99.7 0.174 ? 7.1 7.7 ? 37379 ? ? ?
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 2.078 2.114 98.1 ? ? 0.7 2.7 ?
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 0.97930 ESRF BM07
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
autoPROC data reduction .
autoPROC data scaling .
PHASER phasing .
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