X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 298 0.1 M citric acid pH 5.0, 3.0 M ammonium sulfate
Unit Cell:
a: 192.264 Å b: 192.264 Å c: 156.952 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63 2 2
Crystal Properties:
Matthew's Coefficient: 5.97 Solvent Content: 79.39
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 THROUGHOUT 2.99 38.20 33794 3096 96.75 0.1993 0.2180 ?
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
2.99 39.24 99.6 0.131 ? 13.5 13.1 ? 34774 ? ? ?
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 2.99 3.14 ? 99.0 ? ? 13.0 ?
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 0.97946 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement 1.19.1-4122
XDS data reduction .
Aimless data scaling 0.6.3
PHASER phasing 2.8.1
PDB_EXTRACT data extraction 3.27
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