6R29
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.470, 108.170, 120.540 |
| Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
| Resolution | 83.980 - 1.670 |
| R-factor | 0.153 |
| Rwork | 0.153 |
| R-free | 0.16400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yid |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.070 | 1.690 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.099 | 0.780 |
| Rpim | 0.045 | 0.353 |
| Number of reflections | 250498 | 12460 |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 5.7 | 5.8 |
| CC(1/2) | 0.993 | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 2% 2-methyl-2-propanol, 47% MPD |
