5TCI
Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 134.955, 158.335, 166.631 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.450 |
| R-factor | 0.18675 |
| Rwork | 0.186 |
| R-free | 0.21158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tcf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.311 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.128 | 0.000 |
| Number of reflections | 131363 | |
| <I/σ(I)> | 14.91 | 1.78 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 5.9 | 5.5 |
| CC(1/2) | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 8% tacsimate pH 8.0, 20% PEG3350, soaked with 10 mM BRD4592 and 15% ethylene glycol |
