4BTX
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 | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 226.350, 226.350, 217.226 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.050 - 2.780 |
| R-factor | 0.18346 |
| Rwork | 0.181 |
| R-free | 0.23679 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.730 |
| 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 | 2.830 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.180 | |
| Number of reflections | 62917 | |
| <I/σ(I)> | 19.4 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7 | 5.4 |
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 |
