X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 289 20%(w/v) PEG 3350, 0.2M NaCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Unit Cell:
a: 104.936 Å b: 40.189 Å c: 55.371 Å α: 90.000° β: 112.000° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.11 Solvent Content: 41.62
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 2.000 19.83 14277 711 97.120 ? 0.234 29.135
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
2.000 44.630 97.200 0.073 ? 16.300 7.350 ? 14290 ? ? ?
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 2.00 2.07 95.50 ? ? 5.1 7.28 1393
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
ROTATING ANODE RIGAKU 1.54 ? ?
Software
Software Name Purpose Version
d*TREK data scaling 8.0SSI
REFMAC refinement 5.2.0005
PDB_EXTRACT data extraction 2.000
CrystalClear data reduction .
CrystalClear data scaling .
MOLREP phasing .
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