3HA3
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with S-adenosylhomocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 57.344, 57.344, 203.978 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.680 - 2.200 |
R-factor | 0.20399 |
Rwork | 0.202 |
R-free | 0.25001 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2fk8 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.674 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.680 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 20193 | |
<I/σ(I)> | 9.1 | 2.4 |
Completeness [%] | 98.4 | 97.8 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | 4-28% PEG 3350, pH 5-9, VAPOR DIFFUSION, HANGING DROP, temperature 285K |