4ASD
Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU2000 |
| Temperature [K] | 81 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-05 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.818, 56.479, 52.052 |
| Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.030 |
| R-factor | 0.17831 |
| Rwork | 0.175 |
| R-free | 0.23022 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ag8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.303 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.040 | 0.130 |
| Number of reflections | 23908 | |
| <I/σ(I)> | 38 | 6 |
| Completeness [%] | 92.2 | 43.6 |
| Redundancy | 3.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 286 | CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION METHOD AT 13 DEGREES C USING PRECIPITANT SOLUTIONS CONTAINING APPROXIMATELY: 0.2M SODIUM CITRATE AND 14-21% (W/V) POLYETHYLENE GLYCOL 3350., pH 6.2 |
