X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.9 293 20% peg 3350, 0.2 M sodium formate, 0.1 M sodium citrate
Unit Cell:
a: 49.652 Å b: 49.671 Å c: 80.452 Å α: 90.00° β: 105.30° γ: 90.00°
Symmetry:
Space Group: P 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.60 Solvent Content: 52.73
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 2.33 41.83 11218 577 68.2 0.1938 0.2637 46.48
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
2.33 50.0 68.2 ? 0.083 12.8 3.1 ? 11229 ? ? 30.59
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 2.33 2.41 17.9 ? ? 2.2 1.5 ?
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 SSRL BEAMLINE BL7-1 0.97946 SSRL BL7-1
Software
Software Name Purpose Version
BUSTER refinement 2.9.2
SCALEPACK data scaling .
DENZO data reduction .
PHASER phasing .
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