X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293 0.2 M Lithium sulfate, 0.1 M Sodium acetate pH 4.5, and 50 % w/v PEG 400
Unit Cell:
a: 33.042 Å b: 34.711 Å c: 37.038 Å α: 81.614° β: 70.986° γ: 72.002°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.98 Solvent Content: 37.76
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 2.55 32.97 4559 456 94.59 0.2288 0.2830 48.42
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
2.55 32.97 94.7 0.088 ? 4.1 2.7 ? 4566 ? ? 39.96
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 2.55 2.66 98.5 ? ? 1.5 2.9 ?
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 NSLS-II BEAMLINE 17-ID-1 0.91992 NSLS-II 17-ID-1
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
autoPROC data reduction .
XSCALE data scaling .
PHASER phasing .
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