X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 100 mM Trimethylamine N-oxide dihydrate, 100 mM Tris pH 8.5, 20% PEG MME 2,000
Unit Cell:
a: 191.449 Å b: 107.168 Å c: 107.379 Å α: 90.000° β: 104.125° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.09
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 2.38 47.98 82479 2000 97.78 0.1903 0.2355 55.59
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
2.38 47.98 97.78 0.154 ? 14.1 12.0 ? 82484 ? ? 45.20
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 2.38 2.47 100 ? ? 1.7 11.7 ?
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 CHESS BEAMLINE 7B2 0.88560 CHESS 7B2
Software
Software Name Purpose Version
PHENIX refinement 2.1_6048
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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