9HG1
Crystal structure of M. smegmatis GMP reductase in complex with GMP and ATP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7712 |
| Spacegroup name | P 1 |
| Unit cell lengths | 112.570, 113.600, 178.060 |
| Unit cell angles | 82.70, 77.24, 66.75 |
Refinement procedure
| Resolution | 49.330 - 2.300 |
| R-factor | 0.2012 |
| Rwork | 0.200 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.582 |
| Data reduction software | XDS (20220220) |
| Data scaling software | XSCALE (20220220) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.21_5204) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.330 | 2.320 |
| High resolution limit [Å] | 2.296 | 2.300 |
| Rmerge | 0.083 | 0.816 |
| Rmeas | 0.099 | 1.066 |
| Rpim | 0.053 | 0.675 |
| Number of reflections | 670661 | 14135 |
| <I/σ(I)> | 8.17 | 0.98 |
| Completeness [%] | 96.3 | 63.42 |
| Redundancy | 3.3 | 2.2 |
| CC(1/2) | 0.997 | 0.428 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Sodium chloride 23% (v/v) PEG 3000 0.1 M HEPES, pH 7.5 |
