7F0O
Crystal structure of selenomethionine-labeled isomerase NsrQ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.719, 52.201, 61.196 |
| Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
| Resolution | 45.560 - 2.200 |
| R-factor | 0.1979 |
| Rwork | 0.192 |
| R-free | 0.25540 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.647 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.560 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.149 | 0.610 |
| Number of reflections | 14685 | 1264 |
| <I/σ(I)> | 20.3 | 7 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 11.2 | 11.2 |
| CC(1/2) | 0.999 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM citrate buffer (pH5.5), 980 mM (NH4)2SO4 |
