2G1Q
crystal structure of KSP in complex with inhibitor 9h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-08-20 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.680, 79.640, 158.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.510 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.27900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.660 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.112 | |
| Number of reflections | 30097 | |
| <I/σ(I)> | 34 | 7.5 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 4 |
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 |
