X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 Protein (30mg/ml in a final buffer of 20mM Tril-HCl (pH 7.5), 50mM NaCl), Reservoir solution (30% (w/v) PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES (pH 7.0))
Unit Cell:
a: 71.435 Å b: 71.435 Å c: 45.493 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.29 Solvent Content: 46.23
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 1.80 19.82 18627 2157 96.79 0.20110 0.22993 17.185
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
1.80 50.0 96.7 0.029 ? 26.1 3.6 ? 20794 ? ? ?
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 1.80 1.86 95.2 ? ? 10.1 3.5 ?
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 FR-E 1.5418 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0405
HKL-2000 data scaling .
HKL-2000 data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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