2V7A
Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 62 |
| Unit cell lengths | 159.757, 159.757, 56.931 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.505 |
| Number of reflections | 29049 | |
| <I/σ(I)> | 12 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG 4000 ,1M HEPES PH 7.0, 0.1 M MGCL2, |
