7Q2E
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT424
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 | 56.772, 56.772, 207.019 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.170 - 1.930 |
R-factor | 0.18737 |
Rwork | 0.185 |
R-free | 0.23747 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2fk7 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.296 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.170 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.057 | 0.770 |
Number of reflections | 27163 | 4292 |
<I/σ(I)> | 17.27 | 2.35 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.72 | 6.51 |
CC(1/2) | 0.999 | 0.842 |
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 |