7TWE
Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid
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 | 2017-10-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.426, 54.054, 148.290 |
| Unit cell angles | 90.00, 92.97, 90.00 |
Refinement procedure
| Resolution | 38.330 - 2.410 |
| R-factor | 0.1999 |
| Rwork | 0.198 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 4RGK |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.409 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.117 | 0.420 |
| Rmeas | 0.140 | 0.553 |
| Rpim | 0.076 | 0.355 |
| Number of reflections | 32217 | 1204 |
| <I/σ(I)> | 9.8 | 1.36 |
| Completeness [%] | 96.0 | 72.6 |
| Redundancy | 2.9 | 1.8 |
| CC(1/2) | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Sodium Chloride, 0.1 M TrisHCl pH 8.5, 25 % (w/v) PEG 3350 |
