X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 25% PEG 8,000, 0.1M KsCN, 0.1M Sodium Acetate pH:4.5
Unit Cell:
a: 34.673 Å b: 37.743 Å c: 82.706 Å α: 91.543° β: 90.372° γ: 93.844°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.91 Solvent Content: 35.47
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 FREE R-VALUE 1.47 37.64 68233 3369 95.86 0.1710 0.1806 15.15
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
1.47 37.64 95.86 0.04879 ? 12.4 3.0 ? 68235 ? ? 10.92
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 1.47 1.523 ? ? ? ? ? ?
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 ALS BEAMLINE 8.2.1 0.999995 ALS 8.2.1
Software
Software Name Purpose Version
PHENIX refinement 1.14_3260
xia2 data reduction .
pointless data scaling .
PHASER phasing .
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