X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 277 100 mM Tris, pH 8.0, 40% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 71.790 Å b: 241.510 Å c: 72.030 Å α: 90.00° β: 119.77° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.20 Solvent Content: 61.53
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 ? 1.799 35.895 189144 9533 96.44 0.1817 0.2092 51.5151
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
1.799 50 98.5 ? 0.09 15.9 3.7 ? 193879 ? -3 51.5
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 1.799 1.90 92.4 ? 0.57 2.2 2.8 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 70 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-D 1.033 APS 23-ID-D
Software
Software Name Purpose Version
Blu-Ice data collection .
PHASER phasing .
PHENIX refinement .
HKL-2000 data reduction .
HKL-2000 data scaling .
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