X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 277.15 0.1 M Succinic Acid pH 7.0, 15% PEG 3350
Unit Cell:
a: 118.036 Å b: 118.036 Å c: 58.008 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 51.52
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 2.89 32.56 8149 441 89.46 0.2132 0.2593 ?
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
2.89 35.00 99.9 0.058 ? 7.8 4.7 ? 9121 ? ? ?
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 2.89 2.96 100.0 ? ? ? 4.6 ?
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 23-ID-D 1.033 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.20rc1_4392
HKL-2000 data scaling .
HKL-2000 data reduction .
PHASER phasing .
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