X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 295 Sitting drop vapor diffusion in Cryschem plates. 0.5 Reservoirs of 50% TACSIMATE pH 6. Drops 3.5 ul 40 mg/ml protein stock solution plus 3.5 ul of the reservoir. Room temperature.
Unit Cell:
a: 68.235 Å b: 68.235 Å c: 73.555 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 2.18 Solvent Content: 35.79
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 1.50 46.07 31386 1986 97.58 0.2120 0.2535 34.47
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
1.50 46.07 97.6 0.065 ? 14.3 4.8 ? 31388 ? ? 26.71
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 1.50 1.55 ? ? ? 1.7 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 173 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU FR-E DW 1.54 ? ?
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
d*TREK data reduction .
Aimless data scaling .
PHASER phasing .
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