2VWW
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 | 2005-06-10 |
| Detector | RIGAKU-MSC SATURN |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.462, 53.414, 61.644 |
| Unit cell angles | 90.00, 111.38, 90.00 |
Refinement procedure
| Resolution | 19.300 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.351 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.210 | 1.920 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.380 |
| Number of reflections | 17968 | |
| <I/σ(I)> | 10.74 | 1.9 |
| Completeness [%] | 95.5 | 93.6 |
| Redundancy | 2.13 | 93.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | CRYSTALLIZATION CONDITIONS: 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 |
