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 |
