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 |