X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.0 298.15 0.2 M sodium chloride, 0.1 M MES monohydrate, pH 6.0, 20% (w/v) polyethylene glycol 6,000
Unit Cell:
a: 44.443 Å b: 34.794 Å c: 61.677 Å α: 90° β: 101.051° γ: 90°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 47.10
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 1.300 39.12 45351 2331 98.836 ? 0.1979 27.609
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
1.30 39.12 99.0 0.068 ? 14.9 13.4 ? 45366 ? ? ?
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 7.12 39.12 99.4 ? ? 62.3 12.8 ?
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 APS BEAMLINE 23-ID-B 1.033 APS 23-ID-B
Software
Software Name Purpose Version
REFMAC refinement 5.8.0431 (refmacat 0.4.126)
Coot model building .
PHASER phasing .
Aimless data scaling .
xia2 data reduction .
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