2VWZ
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 | 2005-11-24 |
| Detector | RIGAKU-MSC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.810, 53.567, 61.373 |
| Unit cell angles | 90.00, 110.64, 90.00 |
Refinement procedure
| Resolution | 57.450 - 1.650 |
| R-factor | 0.17011 |
| Rwork | 0.168 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.673 |
| 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 | 0.050 | 0.320 |
| Number of reflections | 28524 | |
| <I/σ(I)> | 13.6 | 2.1 |
| Completeness [%] | 84.9 | 27.7 |
| Redundancy | 3.25 | 1.89 |
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 |
