X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 20% PEG 10000, 0.1M Hepes, pH 7.5, vapor diffusion, temperature 291K
Unit Cell:
a: 49.863 Å b: 53.993 Å c: 65.759 Å α: 104.780° β: 108.790° γ: 97.830°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.57
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 1.8000 20.0000 54165 2745 95.8900 0.1806 0.2071 22.9191
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
1.8 59.0 96.3 ? 0.054 18.5 ? 56246 54165 ? ? ?
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
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 NSLS BEAMLINE X29A 1.075 NSLS X29A
Software
Software Name Purpose Version
REFMAC refinement 5.5.0109
PDB_EXTRACT data extraction 3.10
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