X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.50 298 0.1M Tris-HCl, 0.01M nickel chloride, 20% PEG-MME2000, 5% glycerol, pH 8.5, EVAPORATION, temperature 298K, pH 8.50
Unit Cell:
a: 82.915 Å b: 82.915 Å c: 61.048 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 41
Crystal Properties:
Matthew's Coefficient: 2.79 Solvent Content: 55.94
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 2.45 20.00 7084 361 92.8 0.228 0.264 51.81
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
2.400 20.000 92.8 0.035 ? 28.3000 6.230 ? 7084 ? -3.000 ?
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 2.40 2.49 64.7 ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 200.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU ? ? ?
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
DM phasing 4.2
REFMAC refinement .
PDB_EXTRACT data extraction 2.000
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