X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 9.0 ? pH 9.0
Unit Cell:
a: 106.900 Å b: 106.900 Å c: 106.900 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 3 2
Crystal Properties:
Matthew's Coefficient: 2.79 Solvent Content: 56.
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 MIRAS THROUGHOUT 2.9 20.0 4866 ? 97.6 0.1850000 0.2630000 64.5
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
2.9 20. 97.7 0.0540000 ? ? 3.5 ? 4889 ? 3.0 61.6
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 2.90 3.0 96.7 ? ? 3.6
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SRS BEAMLINE PX9.6 ? SRS PX9.6
Software
Software Name Purpose Version
X-PLOR model building 3.1
X-PLOR refinement 3.1
MOSFLM data reduction .
CCP4 data scaling .
X-PLOR phasing 3.1
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