4BTY
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 226.736, 226.736, 218.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.200 - 3.100 |
| R-factor | 0.18728 |
| Rwork | 0.184 |
| R-free | 0.24638 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.629 |
| Data reduction software | HKL |
| Data scaling software | HKL |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.290 | |
| Number of reflections | 43449 | |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 98.7 | 92.5 |
| Redundancy | 4.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.6-0.75 M NA/K TARTRATE, 0.2 M NACL, 0.1 M HEPES PH 7.4-7.6 |
