X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.1M Imidazole-HCl, pH 6.5, 0.9M Sodium citrate
Unit Cell:
a: 109.203 Å b: 109.203 Å c: 187.956 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63 2 2
Crystal Properties:
Matthew's Coefficient: 4.49 Solvent Content: 72.59
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 SAD THROUGHOUT 2.287 47.286 27479 1784 89.60 0.2106 0.2408 ?
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
2.287 50.00 100.0 0.299 ? 2.6 32.5 ? 30688 ? ? ?
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 2.30 2.38 100.0 ? ? ? 21.4 ?
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 PAL/PLS BEAMLINE 11C 0.9794 PAL/PLS 11C
Software
Software Name Purpose Version
HKL-2000 data collection v722
HKL-2000 data scaling v722
PHENIX phasing 1.9_1692
PHENIX model building 1.9_1692
PHENIX refinement 1.9_1692
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