X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 298 25% polyethylene glycol 4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate pH=4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 52.520 Å b: 52.520 Å c: 227.173 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.31 Solvent Content: 46.82
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 2.00 75.72 23814 1267 97.48 0.19579 0.24559 31.734
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
2.0 76 97.3 ? 0.098 21.1 8.5 25116 25116 0 0 26.9
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 2.00 2.07 83.9 ? 0.587 1.8 5.1 2112
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 110 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-D 0.98 APS 23-ID-D
Software
Software Name Purpose Version
JBluIce-EPICS data collection .
PHASER phasing .
PHENIX model building .
REFMAC refinement 5.6.0116
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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