2QNX
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic 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 | 2006-03-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.285, 88.981, 230.252 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.700 |
| R-factor | 0.21343 |
| Rwork | 0.209 |
| R-free | 0.25377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.112 |
| 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] | 29.060 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 19219 | |
| <I/σ(I)> | 8.7 | 4.8 |
| Completeness [%] | 97.3 | 98 |
| Redundancy | 3.65 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 MM NA MES, 50 MM NAH2PO4/ KH2PO4,1.8M NACL , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
