1TEE
Crystal structure of C205F mutant of PKS18 from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.952, 80.431, 99.975 |
| Unit cell angles | 108.15, 93.14, 103.88 |
Refinement procedure
| Resolution | 24.950 - 2.900 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PKS18 wild type structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.083 | 0.299 |
| Number of reflections | 36320 | |
| <I/σ(I)> | 7.53 | 2 |
| Completeness [%] | 96.2 | 91.6 |
| Redundancy | 1.66 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | PEG 8000, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
