7OY9
Crystal structure of GMP reductase from mycobacterium smegmatis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 253.060, 109.830, 200.820 |
| Unit cell angles | 90.00, 119.43, 90.00 |
Refinement procedure
| Resolution | 43.727 - 2.800 |
| R-factor | 0.236369725587 |
| Rwork | 0.234 |
| R-free | 0.27495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zfj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.221 |
| Data reduction software | XDS (February 5, 2021) |
| Data scaling software | XSCALE (February 5, 2021) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.730 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.155 | 3.968 |
| Rmeas | 0.158 | 4.018 |
| Rpim | 0.025 | 0.626 |
| Number of reflections | 118145 | 11722 |
| <I/σ(I)> | 17.77 | 1.07 |
| Completeness [%] | 99.9 | 99.94 |
| Redundancy | 39.7 | 40.9 |
| CC(1/2) | 1.000 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.03 M Magnesium chloride 0.03 M Calcium chloride 20% (v/v) Ethylene glycol 10.0% (v/v) PEG 8000 0.1 M Tris/BICINE, pH 8.5 |
