2VWX
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 | 2005-10-25 |
| Detector | RIGAKU-MSC SATURN |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.777, 53.451, 61.347 |
| Unit cell angles | 90.00, 110.57, 90.00 |
Refinement procedure
| Resolution | 57.448 - 1.650 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwu |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.549 |
| 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] | 42.870 | 1.660 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.040 | 0.230 |
| Number of reflections | 23949 | |
| <I/σ(I)> | 20 | 3.1 |
| Completeness [%] | 71.4 | 21.2 |
| Redundancy | 3 | 1.94 |
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 |
