6VV7
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.48 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.505, 72.018, 72.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.777 - 1.999 |
| R-factor | 0.2046 |
| Rwork | 0.190 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1df7 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.934 | 46.777 | 2.110 |
| High resolution limit [Å] | 1.999 | 6.320 | 2.000 |
| Rmerge | 0.079 | 0.825 | |
| Rmeas | 0.134 | 0.083 | 0.860 |
| Rpim | 0.037 | 0.024 | 0.237 |
| Total number of observations | 285475 | 9493 | 40885 |
| Number of reflections | 22292 | 797 | 3204 |
| <I/σ(I)> | 13.9 | 27.5 | 3 |
| Completeness [%] | 99.9 | 99.7 | 99.5 |
| Redundancy | 12.8 | 11.9 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 1.6 M ammonium sulfate, 100 mM MES (2-(N-morpholino) ethanesulfonic acid), pH 6.5, 10 mM CoCl2 |
