2QO1
2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.411, 89.123, 233.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.600 |
| R-factor | 0.22865 |
| Rwork | 0.221 |
| R-free | 0.29801 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.099 |
| 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] | 39.730 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 20938 | |
| <I/σ(I)> | 7.4 | 4.1 |
| Completeness [%] | 93.2 | 98.8 |
| Redundancy | 2.54 | 2.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1M NA/K TARTATE, 100MM NA HEPES BUFFER, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
