7TWC
Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to CAPS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97926 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.964, 54.699, 93.163 |
Unit cell angles | 90.00, 124.17, 90.00 |
Refinement procedure
Resolution | 24.140 - 1.850 |
R-factor | 0.1575 |
Rwork | 0.155 |
R-free | 0.19400 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.107 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.065 | 0.638 |
Rmeas | 0.076 | 0.796 |
Rpim | 0.039 | 0.469 |
Number of reflections | 41213 | 1940 |
<I/σ(I)> | 16.8 | 1.62 |
Completeness [%] | 99.3 | 93.1 |
Redundancy | 3.7 | 2.6 |
CC(1/2) | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 289 | 0.2 M Lithium Sulfate, 0.1 M CAPS:NaOH pH 10.5, 1.2 M Sodium-Potassium Phosphate |