6B5K
Mycobacterium tuberculosis RmlA in complex with Mg/dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 4 |
| Unit cell lengths | 96.403, 96.403, 151.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.19617 |
| Rwork | 0.195 |
| R-free | 0.22694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h5s |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.676 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 89386 | 8778 |
| <I/σ(I)> | 55.7 | 5.9 |
| Completeness [%] | 98.5 | 97 |
| Redundancy | 5.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 18 - 22% poly(ethylene glycol) 8000 and 100 mM MOPS |
