X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 0.1 M HEPES pH 7.5, 21% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 36.817 Å b: 31.911 Å c: 50.640 Å α: 90.00° β: 110.16° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.96 Solvent Content: 37.36
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 SAD ? 1.250 24.258 29228 1457 94.89 0.1614 0.2043 12.61
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
1.25 24.26 90.7 ? 0.063 33.7 7.0 ? 30819 0 -3.0 12.61
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 1.25 1.27 66.3 ? ? 2.83 5 ?
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-B 1.0720 APS 23-ID-B
Software
Software Name Purpose Version
HKL-2000 data collection .
PHENIX model building .
PHENIX refinement (phenix.refine)
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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