X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.09 M Bis-Tris chloride, pH 5.5, 22.5% PEG3350, 4% acetonitrile
Unit Cell:
a: 71.554 Å b: 72.622 Å c: 75.282 Å α: 103.010° β: 103.980° γ: 112.150°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 51.02
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 2.3980 45.3790 48209 2413 96.3800 0.2167 0.2518 54.8499
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
2.3980 45.379 96.300 0.066 ? 9.550 2.205 ? 48280 ? ? 48.930
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 2.400 2.460 94.900 ? ? 1.760 2.258 ?
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.9537 Australian Synchrotron MX2
Software
Software Name Purpose Version
XDS data reduction .
XSCALE data scaling .
MOLREP phasing .
PHENIX refinement 1.16_3549
PDB_EXTRACT data extraction 3.27
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