2X9F
ephB4 kinase domain inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-18 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.120, 52.479, 61.369 |
| Unit cell angles | 90.00, 112.05, 90.00 |
Refinement procedure
| Resolution | 56.890 - 1.750 |
| R-factor | 0.15865 |
| Rwork | 0.157 |
| R-free | 0.19422 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.397 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.890 | 1.840 |
| High resolution limit [Å] | 1.650 | 1.750 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 26315 | |
| <I/σ(I)> | 11.2 | 2.1 |
| Completeness [%] | 93.5 | 64.8 |
| Redundancy | 3.28 | 2.15 |
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 |
