X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293.15 0.8M Sodium phosphate monbasic monhydrate, 0.8M Potassium phosphate monobasic, 0.1M Sodium HEPES pH7.5
Unit Cell:
a: 146.640 Å b: 146.640 Å c: 146.640 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 3 2
Crystal Properties:
Matthew's Coefficient: 4.63 Solvent Content: 73.5
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 1.96 65.58 39169 1945 99.93 0.1892 0.2087 40.73
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
1.96 65.58 99.93 ? ? 13.61 66.3 ? 39181 ? ? 37.83
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 1.96 2.03 ? ? ? ? ? ?
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 SSRF BEAMLINE BL10U2 0.97918 SSRF BL10U2
Software
Software Name Purpose Version
Aimless data scaling 0.7.7
PHENIX phasing 1.20.1-4487
PHENIX model building 1.20.1-4487
PHENIX refinement 1.20.1-4487
XDS data reduction .
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