2FK8
Crystal structure of Hma (MmaA4) from Mycobacterium tuberculosis complexed with S-adenosylmethionine
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 | 2004-12-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979171 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 56.779, 56.779, 199.035 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.18214 |
Rwork | 0.179 |
R-free | 0.23889 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fk7 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.539 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 25549 | |
<I/σ(I)> | 4.8 | 2.9 |
Completeness [%] | 97.7 | 88.1 |
Redundancy | 3.9 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 285 | 4-28% PEG 3350, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 285.0K |