4J9D
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 86.380, 86.380, 44.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.933 - 1.500 |
| R-factor | 0.1453 |
| Rwork | 0.143 |
| R-free | 0.18310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o88 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.154 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.807 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.327 |
| Number of reflections | 30153 | |
| <I/σ(I)> | 24.3 | 7.6 |
| Completeness [%] | 97.0 | 96.2 |
| Redundancy | 11.9 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2M Ammonium sulphate, 5% PEG200, 0.05M MgCl2, 0.1M Mes , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
