X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 ? 250 MM SODIUM FORMATE, 100 MM TRIS-HCL, PH 8, pH 8.0
Unit Cell:
a: 145.200 Å b: 145.200 Å c: 166.300 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41 2 2
Crystal Properties:
Matthew's Coefficient: 4.16 Solvent Content: 52
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 MAD THROUGHOUT 2.60 30.00 39465 3943 75.7 0.2540000 0.2790000 57.2
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
2.5 30. 71.5 0.0500000 ? 21 7 ? 26124 ? ? 42.6
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 2.5 2.625 39.5 ? ? 4 3 ?
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 5.0.2 0.9686,0.9794,0.9797,1.000 ALS 5.0.2
Software
Software Name Purpose Version
SOLVE phasing .
CNS refinement 0.4
DENZO data reduction .
SCALEPACK data scaling .
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