X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 100 mM MOPS, 1.25 M magnesium sulfate
Unit Cell:
a: 67.618 Å b: 68.133 Å c: 69.809 Å α: 96.730° β: 98.460° γ: 99.850°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 8.03 Solvent Content: ?
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 4.45 40.93 4579 302 61.88 0.2169 0.2267 203.34
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
4.446 51.927 82.3 ? ? 5.8 3.6 ? 4589 ? ? 214.68
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 4.446 4.936 ? ? ? ? 3.8 ?
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 APS BEAMLINE 17-ID 1.000000 APS 17-ID
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
autoPROC data reduction .
STARANISO data scaling .
PHASER phasing .
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