2QNY
Crystal structure of the complex between the A246F mutant of 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 | 2006-08-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.704, 88.689, 229.903 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.150 |
| R-factor | 0.20011 |
| Rwork | 0.195 |
| R-free | 0.24534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.075 |
| 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] | 39.280 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 35143 | |
| <I/σ(I)> | 10.7 | 4.4 |
| Completeness [%] | 92.2 | 69.6 |
| Redundancy | 3.17 | 1.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM NA Hepes, 1M K/NA TARTRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
