X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 289 Sodium Acetate, Tris HCl, PEG 4000, Glycerol
Unit Cell:
a: 94.606 Å b: 94.606 Å c: 139.263 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 49.57
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 2.03 44.8 22734 1182 98.08 0.17802 0.21949 41.779
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
2.03 50 98.2 0.167 ? 5.0 29.9 ? 23957 ? ? ?
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 2.03 2.07 86.5 ? ? ? 10.1 ?
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 SSRL BEAMLINE BL9-2 0.97946 SSRL BL9-2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0049
SCALEPACK data scaling .
PDB_EXTRACT data extraction .
HKL-3000 data reduction .
HKL-3000 phasing .
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