2QX1
Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.649, 89.365, 232.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.880 - 2.600 |
| R-factor | 0.24951 |
| Rwork | 0.242 |
| R-free | 0.31620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.229 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.122 | 0.277 |
| Number of reflections | 21693 | |
| <I/σ(I)> | 6.6 | 3.5 |
| Completeness [%] | 98.0 | 99.9 |
| Redundancy | 2.76 | 2.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100MM NA HEPES, 18% PEG-10K(W.V), pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
