X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.1M Citric acid, pH 3.5, 16% PEG 3350 (w/v), 2% MPD (v/v)
Unit Cell:
a: 41.810 Å b: 61.730 Å c: 139.610 Å α: 80.89° β: 89.83° γ: 73.34°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.38 Solvent Content: 48.28
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 2.30 38.93 53169 2821 95.50 0.19693 0.25171 22.278
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
2.30 40.01 95.5 ? 0.08 7.8 2.2 ? 55992 ? ? ?
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 2.42 95.2 ? 0.26 3.4 2.3 ?
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 SSRF BEAMLINE BL17U 0.9791 SSRF BL17U
Software
Software Name Purpose Version
REFMAC refinement 5.7.0032
iMOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
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