X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 HEPES 0.1M pH=7.5, 0.2M NaCl 25% PEG3350
Unit Cell:
a: 51.567 Å b: 51.586 Å c: 72.725 Å α: 90.630° β: 90.531° γ: 102.618°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 49.02
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 1.951 72.715 45725 2392 85.873 ? 0.2662 24.637
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
1.95 72.72 85.9 0.112 ? 7.4 3.6 ? 45729 ? ? ?
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 1.95 2.00 94.1 ? ? 2.3 3.7 ?
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 ESRF BEAMLINE ID30B 0.9677 ESRF ID30B
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
autoPROC data reduction .
Aimless data scaling 0.7.15
PHASER phasing 2.8.3
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