7Q2D
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT320
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.022, 57.022, 207.345 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.380 - 1.890 |
| R-factor | 0.18771 |
| Rwork | 0.186 |
| R-free | 0.22809 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2fk7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.225 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.020 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.085 | 0.951 |
| Number of reflections | 31853 | 5032 |
| <I/σ(I)> | 16.15 | 2.55 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.39 | 11.76 |
| CC(1/2) | 0.998 | 0.892 |
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 |
