X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 295 Protein: 7.8 mg/ml, 0.25M Sodium chloride, 0.01M Tris HCl (pH 8.3), Screen: JCSG+ (B3), 0.1M Bicine (pH 8.5), 20% (w/v) PEG 6000.
Unit Cell:
a: 134.949 Å b: 35.008 Å c: 101.533 Å α: 90.00° β: 126.25° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 49.1
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 THROUGHOUT 2.05 29.08 23265 1199 99.76 0.17346 0.21030 48.198
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
2.05 29.08 100.0 0.093 0.093 28.1 5.0 ? 24487 ? -3.0 32.2
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 2.05 2.09 99.9 ? ? 2.06 5.0 ?
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 21-ID-F 0.97872 APS 21-ID-F
Software
Software Name Purpose Version
REFMAC refinement 5.8.0155
HKL-3000 data reduction .
HKL-3000 data scaling .
PHENIX phasing .
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