X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.1 M Sodium acetate, 0.1 M HEPES pH 8.0, 10% w/v PEG 4000, 2mM EDTA and 2mM As2O3
Unit Cell:
a: 73.815 Å b: 95.575 Å c: 99.646 Å α: 89.620° β: 89.850° γ: 75.790°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.14 Solvent Content: 60.80
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 2.900 45.3900 47968 2623 84.8200 0.2353 0.2643 82.7500
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
2.8800 46.320 89.400 0.092 ? 8.500 3.800 ? 52345 ? ? ?
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 2.900 2.990 90.100 ? ? ? 3.900 ?
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 19-ID 1.03314 APS 19-ID
Software
Software Name Purpose Version
REFMAC refinement 5.8.0049
Aimless data scaling 0.7.2
PDB_EXTRACT data extraction 3.27
XDS data reduction .
PHASER phasing .
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