X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.1 M Na Tris HCl pH 8.5 0.2 M sodium acetate 18% (w/v) PEG 4000
Unit Cell:
a: 99.49 Å b: 93.16 Å c: 51.25 Å α: 90° β: 93.44° γ: 90°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.31 Solvent Content: 46.73
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 FOURIER SYNTHESIS THROUGHOUT 1.469 28.85 76848 3877 96.9 0.1816 0.1969 27.68
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
1.469 67.945 96.9 0.0641 ? 13.26 6.83 ? 76859 ? ? ?
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 3.986 67.945 99.5 ? ? 39.50 6.71 4017
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 ESRF BEAMLINE ID30B 0.873128 ESRF ID30B
Software
Software Name Purpose Version
BUSTER refinement 2.10.4
autoPROC data processing 1.0.5
XSCALE data scaling .
TRUNCATE data processing 9.0.005
XDS data reduction .
BUSTER phasing .
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