X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 293 0.1 M Tris pH 8.0 and 1.32 M K/Na Tartrate at 8.5 mg/ml. Cryo protection: 15% 2R3R Butanediol
Unit Cell:
a: 130.393 Å b: 130.393 Å c: 170.898 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 4.27 Solvent Content: 71.17
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 2.80 94.21 21700 1092 99.66 0.2183 0.2548 57.93
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
2.8 94.22 99.8 0.083 ? 11.9 22.2 ? 21787 ? ? 52.57
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 2.80 2.95 98.9 ? ? ? 22.2 ?
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 ALS BEAMLINE 5.0.2 0.9774 ALS 5.0.2
Software
Software Name Purpose Version
PHENIX refinement 1.17.1_3660
Coot model building .
SCALEPACK data scaling .
PHASER phasing .
HKL-2000 data reduction .
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