4HVW
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
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 32 2 1 |
Unit cell lengths | 37.442, 37.442, 85.624 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.721 - 0.980 |
R-factor | 0.134 |
Rwork | 0.134 |
R-free | 0.14140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fj5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.490 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.426 | 18.720 | 1.000 |
High resolution limit [Å] | 0.980 | 5.190 | 0.980 |
Rmerge | 0.051 | 0.058 | 0.162 |
Number of reflections | 72675 | ||
<I/σ(I)> | 19.5 | 29.7 | 3.4 |
Completeness [%] | 98.3 | 96.5 | 81.4 |
Redundancy | 4.2 | 4 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.7 M Ammonium sulphate, 5% PEG 300, 10% glycerol and 0.1 M sodium acetate, vapor diffusion, hanging drop, temperature 298K |