X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 0.2 M ammonium citrate tribasic (pH 7.0) and 15% w/v PEG3350
Unit Cell:
a: 93.823 Å b: 93.823 Å c: 43.541 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 42
Crystal Properties:
Matthew's Coefficient: 2.73 Solvent Content: 54.96
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 SAD FREE R-VALUE 2.40 39.50 15087 1510 99.85 0.1820 0.2228 67.67
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
2.40 39.5 99.9 ? ? 16.1 14.0 ? 15104 ? ? 56.57
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 2.40 2.49 99.9 ? ? 1.8 13.9 ?
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 0.97905 SSRL BL9-2
Software
Software Name Purpose Version
PHENIX refinement 1.18.2_3874
XDS data reduction .
SCALA data scaling .
PHASER phasing .
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