7Q2F
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT585
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95373 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 57.110, 57.110, 204.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.460 - 1.850 |
R-factor | 0.19142 |
Rwork | 0.189 |
R-free | 0.22933 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2fk7 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.199 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.460 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.175 | 1.299 |
Number of reflections | 33526 | 1649 |
<I/σ(I)> | 7.2 | 1.4 |
Completeness [%] | 98.3 | 99.9 |
Redundancy | 5.9 | 5.2 |
CC(1/2) | 0.980 | 0.531 |
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 |