3LLS
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-21 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 101.370, 101.370, 165.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3FTP modified with CCP4 program CHAINSAW |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.449 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.105 | 0.570 |
| Number of reflections | 38839 | |
| <I/σ(I)> | 13.54 | 3.17 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 1.5M AMMONIUM SULPHATE, 100MM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
