1TED
Crystal structure of a type III polyketide synthase 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 | 2003-09-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.914, 80.654, 99.612 |
| Unit cell angles | 108.23, 92.97, 103.69 |
Refinement procedure
| Resolution | 24.870 - 2.250 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cgz |
| RMSD bond length | 0.007 |
| 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 | 2.360 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.070 | 0.307 |
| Number of reflections | 76912 | |
| <I/σ(I)> | 9.5 | 2 |
| Completeness [%] | 95.1 | 91.2 |
| Redundancy | 1.74 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | PEG 8000, HEPES, ethylene glycol, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
