2VX1
ephB4 kinase domain inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-22 |
| Detector | RIGAKU-MSC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.116, 53.537, 61.505 |
| Unit cell angles | 90.00, 110.90, 90.00 |
Refinement procedure
| Resolution | 57.450 - 1.650 |
| R-factor | 0.17267 |
| Rwork | 0.171 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.469 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.070 | 0.360 |
| Number of reflections | 28794 | |
| <I/σ(I)> | 10.1 | 2 |
| Completeness [%] | 85.2 | 27.5 |
| Redundancy | 3.3 | 1.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | PROTEIN: 12MG/ML IN 50MM MOPS PH 6.5, 50MM NACL, 1MM DTT RESERVOIR: 25% PEG 5000 MME, 0.1M TRIS PH 7.5, 0.15M MGCL2, 15% GLYCEROL TEMP: 18 DEGREES C SITTING DROP: 2 UL PROTEIN, 0.6 UL RESERVOIR |
