4RTW
Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12
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 | 2012-11-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9334 |
Spacegroup name | P 31 |
Unit cell lengths | 36.940, 36.940, 83.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.470 - 1.240 |
R-factor | 0.1333 |
Rwork | 0.132 |
R-free | 0.15810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.285 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.470 | 18.470 | 1.260 |
High resolution limit [Å] | 1.240 | 6.560 | 1.240 |
Rmerge | 0.028 | 0.037 | 0.150 |
Total number of observations | 395 | 3763 | |
Number of reflections | 35662 | ||
<I/σ(I)> | 26.2 | 107.1 | 5 |
Completeness [%] | 98.8 | 71.3 | 96.2 |
Redundancy | 2.4 | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.8 M Ammonium sulphate, 0.1 M sodium acetate and 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K |