7R50
Crystal structure of GMP reductase from mycobacterium smegmatis in complex with GMP.
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 | 2018-12-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 104.788, 105.098, 170.468 |
Unit cell angles | 76.92, 81.86, 69.01 |
Refinement procedure
Resolution | 47.689 - 2.500 |
R-factor | 0.265159235491 |
Rwork | 0.263 |
R-free | 0.30603 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zfj |
RMSD bond length | 0.023 |
RMSD bond angle | 1.087 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.690 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.136 | 1.632 |
Rmeas | 0.185 | 2.220 |
Rpim | 0.124 | 1.495 |
Number of reflections | 208443 | 21247 |
<I/σ(I)> | 5.27 | 0.58 |
Completeness [%] | 90.1 | 86.46 |
Redundancy | 2.1 | 2.1 |
CC(1/2) | 0.992 | 0.293 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Sodium chloride 20% (v/v) PEG 3000 0.1 M HEPES, pH 7.5 |