X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298 Glycerol, PEG500 MME, Bis-Tris buffer, Ammonium sulfate
Unit Cell:
a: 78.631 Å b: 44.892 Å c: 41.695 Å α: 90.00° β: 121.86° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 3.07 Solvent Content: 59.96
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 FREE R-VALUE 1.61 22.52 14617 1472 90.40 0.2242 0.2701 ?
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
1.61 30.00 90.9 0.060 ? 10.3 3.3 ? 14667 ? ? ?
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 1.61 1.67 95.7 ? ? ? 3.5 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSRRC BEAMLINE TPS 07A 1.0 NSRRC TPS 07A
Software
Software Name Purpose Version
PHENIX refinement (2.0_5885: ???)
HKL-2000 data reduction .
PDB_EXTRACT data extraction .
HKL-2000 data scaling .
PHENIX phasing .
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