2Q2Y
Crystal Structure of KSP in complex with Inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.860, 79.800, 159.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.500 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.25150 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.404 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | BUSTER-TNT (1.9.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.900 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.107 | 0.397 |
| Number of reflections | 31187 | |
| <I/σ(I)> | 9.8 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG3350, Potassium Phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
