X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 25.0% Glycerol, 1.50M ammonium sulfate
Unit Cell:
a: 48.480 Å b: 34.050 Å c: 52.340 Å α: 90.000° β: 108.470° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.08 Solvent Content: 40.83
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 MAD THROUGHOUT 1.5000 27.366 12871 618 97.9200 0.2107 0.2482 25.7253
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
1.50 27.366 92.400 0.092 ? 7.560 1.685 ? 12873 ? -3.000 17.415
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 1.500 1.550 92.100 ? ? 1.8 ? ?
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 BL14-1 0.95369,0.97968,0.97943 SSRL BL14-1
Software
Software Name Purpose Version
PDB_EXTRACT data extraction 3.10
SOLVE phasing .
XSCALE data scaling November 3, 2014 BUILT=20141118
BUSTER-TNT refinement 2.10.2
BUSTER refinement 2.10.2
XDS data reduction .
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