X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 298 0.2M (NH4)2SO4 0.1M C2H12AsNaO5 pH6.2 30%PEG8000
Unit Cell:
a: 73.248 Å b: 73.248 Å c: 62.264 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 1.85 Solvent Content: 33.68
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 1.28 63.43 34530 1780 74.29 0.15441 0.17495 14.710
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
1.280 63.931 99.9 0.137 ? 10.4 4.1 ? 34530 ? ? ?
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 1.76 1.81 99.7 ? ? 10.4 ? ?
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 BL02U1 0.979145 SSRF BL02U1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0425
Coot model building 0.9.8.93
PDB_EXTRACT data extraction v1.0
autoPROC data processing 1.0.5
MOLREP phasing 11.9.02
autoPROC data reduction 1.0.5
autoPROC data scaling 1.0.5
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