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 |