X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 291 TRIS 0.1M, DMSO 10%, PEG8000 12%, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 91.220 Å b: 64.865 Å c: 70.082 Å α: 90.00° β: 95.99° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.39 Solvent Content: 48.62
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 R_FREE 1.660 34.850 47886 2417 99.56 0.1675 0.1990 13.64
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
1.66 50.0 99.6 ? 0.049 18.1 2.6 47912 47912 ? ? 11.5
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 1.66 1.69 96.6 ? 0.285 3.8 2.5 2330
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 BESSY BEAMLINE 14.2 0.91841 BESSY 14.2
Software
Software Name Purpose Version
MAR345dtb data collection .
PHASER phasing .
PHENIX refinement (phenix.refine: 1.7.2_869)
HKL-2000 data reduction .
HKL-2000 data scaling .
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