3CJO
Crystal structure of KSP in complex with inhibitor 30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-01 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.758, 79.374, 158.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.280 |
| R-factor | 0.1851 |
| Rwork | 0.181 |
| R-free | 0.26070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1q0b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.308 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.310 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 30737 | |
| <I/σ(I)> | 10.3 | 1.2 |
| Completeness [%] | 76.0 | 78.5 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG3350, Potassium Phosphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
