X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 3.5 298 0.1 M Citric acid pH 3.5, 2.0 M Ammonium sulfate, 25% Glycerol
Unit Cell:
a: 8.060 Å b: 9.480 Å c: 25.660 Å α: 96.940° β: 96.350° γ: 110.050°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.53 Solvent Content: 19.71
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 1.6010 12.5660 870 87 95.7100 0.1848 0.2116 14.4500
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
1.600 12.566 95.600 0.138 ? 5.720 2.912 ? 871 ? ? 9.920
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 1.600 1.700 93.500 ? ? 1.410 2.930 ?
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 24-ID-E 0.9792 APS 24-ID-E
Software
Software Name Purpose Version
XSCALE data scaling .
PHENIX refinement 1.8.1_1168
PDB_EXTRACT data extraction 3.24
XDS data reduction .
PHASER phasing .
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