6OXD
Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.576, 104.957, 194.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.798 - 2.000 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.19680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2req |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.552 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.103 | 0.997 |
| Rmeas | 0.127 | 1.243 |
| Number of reflections | 104126 | 5172 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 98.4 | 99.8 |
| Redundancy | 4.6 | 4.5 |
| CC(1/2) | 0.996 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4 M sodium phosphate monobasic, 1.6 M potassium phosphate dibasic, 0.1 M imidazole/HCl, pH 8, 0.2 M sodium chloride |
