X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.00 280 20% PEG 4000, pH 6.00, VAPOR DIFFUSION, temperature 280K
Unit Cell:
a: 51.965 Å b: 93.096 Å c: 92.998 Å α: 120.53° β: 106.19° γ: 89.97°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.15
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 2.70 20.00 36687 1169 97.1 0.234 0.264 54.38
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
2.667 100.000 97.1 0.068 0.042 7.8000 1.900 ? 38744 ? 0.000 ?
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 2.67 2.80 95.1 ? 0.32 1.700 1.80 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU RU200 ? ? ?
Software
Software Name Purpose Version
HKL-2000 data reduction .
CCP4 model building .
REFMAC refinement 5.2.0005
HKL-2000 data scaling .
MOLREP phasing .
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