X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.0 273.0 PEG6000, sodium acetate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 273.0K
Unit Cell:
a: 63.710 Å b: 63.710 Å c: 58.860 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.03 Solvent Content: 30.0
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 IR ? 2.0 20.0 9598 506 99.5 0.2330000 0.2660000 42.95
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
1.98 20.0 99.6 0.0700000 ? 35.7 10.5 9904 9904 0.0 0.0 47.3
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 1.98 2.05 99.6 ? ? 2.34 4.7 967
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
SYNCHROTRON ESRF BEAMLINE BM14 ? ESRF BM14
Software
Software Name Purpose Version
CNS refinement .
DENZO data reduction .
SCALEPACK data scaling .
CNS phasing .
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