X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 277 PEG400, 50mM Tris-HCl, Screened in PEG 8-28%
Unit Cell:
a: 44.390 Å b: 51.115 Å c: 92.692 Å α: 92.20° β: 102.98° γ: 109.40°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.37 Solvent Content: 48.11
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 1.77 40.52 59094 2955 81.44 0.1967 0.2333 ?
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
1.77 40.52 82.8 0.133 ? 7.1 3.1 ? 60102 ? ? ?
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 1.77 1.86 ? 81.4 ? ? 3.0 ?
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 SSRL BEAMLINE BL12-2 0.979 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
Aimless data scaling .
PHASER phasing .
PDB_EXTRACT data extraction .
autoPROC data reduction .
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