2QNZ
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.030, 88.850, 229.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.810 - 2.300 |
| R-factor | 0.16959 |
| Rwork | 0.164 |
| R-free | 0.22236 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.108 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 31228 | |
| <I/σ(I)> | 19.6 | 9.5 |
| Completeness [%] | 99.3 | 96.7 |
| Redundancy | 12.43 | 7.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 50MM SODIUM ACETATE, 2.4M SODIUM FORMATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
