X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 20% PEG 1500 (w/v) and 0.1 mM Tris-HCl pH 7.6 under anaerobic conditions. The crystallization drops were first prepared inside a Coy anaerobic chamber (95% N2, 5% H2), and then placed inside an anaerobic Genbox (Biomerieux).
Unit Cell:
a: 106.280 Å b: 62.770 Å c: 110.860 Å α: 90.00° β: 105.11° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.94
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 0.950 45.476 871840 43758 99.99 0.1109 0.1202 ?
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
0.95 45.5 100.0 0.063 ? 22.3 13.0 ? 440915 ? ? 7.0
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 0.95 0.97 99.9 ? ? 1.6 11.5 ?
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 SLS BEAMLINE X06DA 0.7514 SLS X06DA
Software
Software Name Purpose Version
PHENIX refinement (1.10.1_2155: ???)
XDS data reduction March 30, 2013
XDS data scaling March 30, 2013
PHASER phasing 2.5.2
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