9HG3
Crystal structure of M. smegmatis GMP reductase in complex with GMP and GTP.
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 | 2024-03-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 113.080, 145.930, 146.320 |
| Unit cell angles | 90.00, 95.93, 90.00 |
Refinement procedure
| Resolution | 112.480 - 2.300 |
| R-factor | 0.2508 |
| Rwork | 0.250 |
| R-free | 0.27390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.434 |
| Data reduction software | XDS (20230630) |
| Data scaling software | XSCALE (20230630) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21_5204) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.500 | 2.330 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.159 | 4.465 |
| Rmeas | 0.188 | 5.277 |
| Rpim | 0.099 | 2.785 |
| Number of reflections | 410206 | 13569 |
| <I/σ(I)> | 5.03 | 0.22 |
| Completeness [%] | 98.4 | 87.28 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.996 | 0.087 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | 0.03 M Magnesium chloride 0.03 M Calcium chloride 20% (v/v) Ethylene glycol 8.5% (v/v) PEG 8000 0.1 M Tris/BICINE, pH 8.7 |
