X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 277 Precipitant: 17 % w/v PEG 10000, 0.1 M sodium acetate and 0.1 M Bis-Tris pH 5.5; Cryo-protectant: perfluoropolyether oil
Unit Cell:
a: 42.126 Å b: 147.899 Å c: 148.856 Å α: 119.933° β: 94.326° γ: 89.308°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.33 Solvent Content: 63.08
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 3.04 74.22 28065 1408 47.05 0.2296 0.2737 52.40
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
3.04 74.22 79.0 ? ? 2.7 2.2 ? 28065 ? ? 36.90
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 3.041 3.590 ? ? ? ? ? ?
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 ESRF BEAMLINE MASSIF-3 0.9677 ESRF MASSIF-3
Software
Software Name Purpose Version
PHENIX refinement 1.21rc1_5107
autoPROC data reduction .
autoPROC data scaling .
PHASER phasing .
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