4J9E
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide 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 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.230, 86.230, 45.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.287 - 1.400 |
R-factor | 0.1621 |
Rwork | 0.161 |
R-free | 0.19170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o88 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.389 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.677 | 20.000 | 1.480 |
High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
Rmerge | 0.055 | 0.033 | 0.513 |
Number of reflections | 36431 | ||
<I/σ(I)> | 22 | 53.9 | 4.5 |
Completeness [%] | 95.7 | 89.4 | 94.7 |
Redundancy | 9.6 | 10 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2M Ammonium sulphate, 5% PEG300 , 0.05M LiCl, 0.1M Hepes , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |