7Q2C
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT260
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.939300 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.111, 57.111, 205.897 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.690 - 1.900 |
| R-factor | 0.18159 |
| Rwork | 0.179 |
| R-free | 0.22556 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2fk7 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.660 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.056 | 1.264 |
| Number of reflections | 33875 | 5254 |
| <I/σ(I)> | 15.05 | 0.98 |
| Completeness [%] | 98.4 | 96.7 |
| Redundancy | 5.11 | 3.72 |
| CC(1/2) | 0.999 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | BisTris 50 mM, PEG 3350 4% (w/v), pH 6.5 |
