9HG2
Crystal structure of M. smegmatis GMP reductase in complex with IMP and ATP.
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 | 2023-04-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 113.940, 115.740, 178.920 |
| Unit cell angles | 77.75, 83.32, 65.60 |
Refinement procedure
| Resolution | 45.500 - 1.600 |
| R-factor | 0.2032 |
| Rwork | 0.202 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.650 |
| Data reduction software | XDS (20220820) |
| Data scaling software | XSCALE (20220820) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21_5204) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.121 | 4.625 |
| Rmeas | 0.143 | 5.421 |
| Rpim | 0.075 | 2.806 |
| Number of reflections | 2120483 | 70500 |
| <I/σ(I)> | 6.03 | 0.28 |
| Completeness [%] | 98.6 | 93.09 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.997 | 0.059 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.9 | 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 8.9 |
