2VWU
ephB4 kinase domain inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.490, 53.479, 61.392 |
| Unit cell angles | 90.00, 111.15, 90.00 |
Refinement procedure
| Resolution | 56.800 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.295 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.800 | 2.110 |
| High resolution limit [Å] | 1.450 | 2.000 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 19173 | |
| <I/σ(I)> | 5.44 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 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: 4 DEGREES C SITTING DROP: 2 UL PROTEIN, 0.6 UL RESERVOIR |
