2PG2
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.064, 80.350, 69.313 |
| Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
| Resolution | 80.060 - 1.849 |
| R-factor | 0.21166 |
| Rwork | 0.210 |
| R-free | 0.24809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q0b |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.965 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.060 |
| High resolution limit [Å] | 1.849 |
| Number of reflections | 74875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 100 mM Bis-Tris (pH 6.0) 200 mM ammonium sulfate, and 18-20% PEG 3350. 10 mM SrCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
