2UYM
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 37
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2006-09-10 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.790, 80.452, 68.831 |
| Unit cell angles | 90.00, 96.16, 90.00 |
Refinement procedure
| Resolution | 49.450 - 2.110 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q0b |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.583 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 49950 | |
| <I/σ(I)> | 13 | 1.8 |
| Completeness [%] | 99.6 | 96.2 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 100 MM BIS-TRIS (PH 6.0), 200 MM AMMONIUM SULFATE AND 18-20% PEG3350. 10 MM SRCL2 |
