X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 294 0.1 M Tris pH 7.0, 0.1 M MgCl2, 15% PEG 8000
Unit Cell:
a: 106.028 Å b: 74.546 Å c: 51.148 Å α: 90.000° β: 103.356° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.37 Solvent Content: 48.06
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 1.551 40.84 51904 2539 92.63 0.1969 0.2163 20.86
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
1.551 40.84 92.63 0.1225 ? 9.49 6.3 ? 51906 ? ? 15.01
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 1.551 1.607 99.51 ? ? 1.93 6.7 ?
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 NSLS-II BEAMLINE 17-ID-2 0.979342 NSLS-II 17-ID-2
Software
Software Name Purpose Version
PHENIX refinement 1.19.2-4158
PHENIX phasing 1.19.2-4158
autoPROC data reduction 1.0.5
autoPROC data scaling 1.0.5
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