3M1L
Crystal structure of a C-terminal trunacted mutant of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 2.5 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-01-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.076, 80.497, 153.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.520 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.652 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0095) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.950 | |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.101 | 0.561 |
Number of reflections | 27834 | |
<I/σ(I)> | 15.1 | 2.9 |
Redundancy | 7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.2M Sodium Acetate, 15% (w/v) PEG3350, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |