4F4Q
Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-13 |
| Detector | PILATUS 2M-F detector |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.924, 64.309, 202.841 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.600 - 2.619 |
| R-factor | 0.20073 |
| Rwork | 0.199 |
| R-free | 0.24042 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aut |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.780 |
| High resolution limit [Å] | 2.619 | 2.619 |
| Number of reflections | 16323 | |
| <I/σ(I)> | 2.45 | |
| Completeness [%] | 98.5 | 91.3 |
| Redundancy | 4.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 291 | 11% PEG 300, 90 mM MES pH 5.9, 5% tetrabutylammonium bromide, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
