X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 290 25% PEG 3350, 0.15M K2HPO4, 0.02M Citrate (pH 5.8), 0.01M MES (pH 6.54), 0.02M Hepes (pH 7.5), 0.02M ADA (pH 6.5), 0.02M Tris (pH 8.0)
Unit Cell:
a: 62.210 Å b: 63.780 Å c: 74.440 Å α: 90.00° β: 113.55° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.12
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 1.46 37.07 89733 4487 96.85 0.1684 0.2028 ?
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
1.46 37.07 96.7 0.067 ? 17.02 5.5 ? 89753 ? ? ?
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 1.46 1.5 ? ? ? ? ? ?
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 SSRL BEAMLINE BL12-2 0.97946 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
XSCALE data scaling .
PDB_EXTRACT data extraction .
XDS data reduction .
MOLREP phasing .
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