X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.3 298 0.05 M sodium phosphate, 28% PEG8000, pH 7.3, EVAPORATION, temperature 298K
Unit Cell:
a: 68.662 Å b: 71.414 Å c: 71.880 Å α: 90.000° β: 99.820° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.62 Solvent Content: 52.98
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 1.6500 27.176 38491 1904 93.5100 0.2287 0.2604 28.5089
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
1.650 70.8900 96.800 0.056 0.056 13.600 3.300 39772 39772 1 1 22.9
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 1.650 1.690 95.300 ? 0.340 2.2 3.300 2842
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
SYNCHROTRON ESRF BEAMLINE ID23-1 0.9795 ESRF ID23-1
Software
Software Name Purpose Version
MOSFLM data reduction .
SCALA data scaling 3.2.5
REFMAC refinement .
PDB_EXTRACT data extraction 3.10
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