X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.8 ? PROTEIN WAS CRYSTALLIZED FROM 30 % PEG 5000 MME, 25 MM IMIDAZOLE PH 6.8, 15 MM COCL2, 1MM BETA-MERCAPTOETHANOL.
Unit Cell:
a: 65.910 Å b: 70.580 Å c: 72.790 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.55 Solvent Content: 52.0
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 2.2 8.0 16017 795 86.7 0.2040000 0.2880000 25.3
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
2.2 23 94.5 ? 0.0640000 7.8 3.1 ? 16682 ? 2 35.3
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 2.2 2.26 89 0.2800000 2.6 2.6
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 263 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RUH2R ? ? ?
Software
Software Name Purpose Version
X-PLOR model building 3.1
X-PLOR refinement 3.1
DENZO data reduction .
CCP4 data scaling .
X-PLOR phasing 3.1
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