X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 289 2.0 M ammonium sulfate, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Unit Cell:
a: 37.122 Å b: 92.152 Å c: 91.999 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.61 Solvent Content: 52.92
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 SAD THROUGHOUT 1.905 32.248 12249 1221 96.26 0.177 0.216 33.9
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
1.9 50 98.3 ? 0.087 9.2 4.6 12529 12529 0.0 0.0 28.4
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 1.90 1.93 99.5 ? 0.561 2.2 4.6 607
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 APS BEAMLINE 19-ID 0.97935 APS 19-ID
Software
Software Name Purpose Version
SBC-Collect data collection .
HKL-3000 data collection .
HKL-3000 phasing .
PHENIX model building .
PHENIX refinement (phenix.refine: 1.8.1_1161)
HKL-3000 data reduction .
HKL-3000 data scaling .
PHENIX phasing .
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