4BTW
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 ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-16 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 226.473, 226.473, 219.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.390 - 2.800 |
| R-factor | 0.20781 |
| Rwork | 0.205 |
| R-free | 0.26032 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.950 |
| 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 | 2.820 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.320 | |
| Number of reflections | 60329 | |
| <I/σ(I)> | 3.5 | |
| Completeness [%] | 96.0 | 82.6 |
| Redundancy | 9.2 | 5.7 |
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 |
