4J9F
Crystal structure 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 | 2011-01-28 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 86.429, 86.429, 45.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.840 - 1.094 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o88 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.386 |
| 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] | 74.850 | 1.150 |
| High resolution limit [Å] | 1.094 | 1.090 |
| Rmerge | 0.061 | 0.430 |
| Number of reflections | 77433 | |
| <I/σ(I)> | 19.2 | 4.9 |
| Completeness [%] | 97.0 | 94.9 |
| Redundancy | 8.8 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 2M Ammonium sulphate, 5% PEG300, 0.05M Litium Formate, 10 % glycerol, 0.1M MOPS , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
