4HVU
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97951 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 31.503, 31.503, 106.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.074 - 0.980 |
R-factor | 0.1456 |
Rwork | 0.145 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fj5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.551 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.570 | 19.070 | 1.000 |
High resolution limit [Å] | 0.980 | 5.370 | 0.980 |
Rmerge | 0.037 | 0.048 | 0.169 |
Total number of observations | 735 | 2555 | |
Number of reflections | 35524 | ||
<I/σ(I)> | 29.5 | 36.8 | 3.9 |
Completeness [%] | 97.9 | 85.8 | 82.8 |
Redundancy | 4.8 | 3.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.7 M Ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, vapor diffusion, hanging drop, temperature 298K |