9HFZ
Crystal structure of M. smegmatis GMP reductase in complex with IMP.
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 | 2020-07-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 112.910, 145.910, 146.210 |
| Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
| Resolution | 48.110 - 2.800 |
| R-factor | 0.3254 |
| Rwork | 0.324 |
| R-free | 0.35230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.464 |
| Data reduction software | XDS (20200417) |
| Data scaling software | XSCALE (20220220) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21_5204) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.110 | 2.830 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.194 | 1.922 |
| Rmeas | 0.262 | 2.605 |
| Rpim | 0.176 | 1.747 |
| Number of reflections | 222592 | 7232 |
| <I/σ(I)> | 2.83 | 0.38 |
| Completeness [%] | 97.9 | 93.02 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.979 | 0.143 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 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 |
