X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 292 30% w/v Polyethylene glycol monomethyl ether 2,000, 0.15 M Potassium bromide
Unit Cell:
a: 35.167 Å b: 38.701 Å c: 59.860 Å α: 97.109° β: 98.654° γ: 99.705°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.56 Solvent Content: 51.92
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 2.83 34.15 9905 460 68.51 0.2369 0.2872 60.59
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
2.83 34.15 99.1 ? ? 3.4 3.6 ? 14314 ? ? 7.70
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 2.83 2.88 ? ? ? ? ? ?
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 17-ID 0.919716 APS 17-ID
Software
Software Name Purpose Version
PHENIX refinement 2.0_5885
autoPROC data reduction .
autoPROC data scaling .
PHENIX phasing .
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