4J9C
Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17
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 |
Wavelength(s) | 0.97 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 49.646, 49.646, 45.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.754 - 1.051 |
R-factor | 0.1468 |
Rwork | 0.146 |
R-free | 0.16220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o88 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.237 |
Data reduction software | XDS |
Data scaling software | SCALA (0.1.30) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.995 | 1.110 |
High resolution limit [Å] | 1.051 | 1.050 |
Rmerge | 0.040 | 0.472 |
Number of reflections | 29561 | |
<I/σ(I)> | 28.7 | 4.61 |
Completeness [%] | 98.8 | 99.1 |
Redundancy | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1.5 M AMS, 5% PEG 200, 20 mM LiCl, 0.1 M AcONa , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |