4HVV
Crystal structure of the T98E c-Src-SH3 domain 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 | 2011-04-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 31.588, 31.588, 106.689 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.097 - 1.100 |
R-factor | 0.1442 |
Rwork | 0.144 |
R-free | 0.15630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fj5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.214 |
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] | 35.563 | 19.100 | 1.120 |
High resolution limit [Å] | 1.100 | 5.920 | 1.100 |
Rmerge | 0.067 | 0.066 | 0.667 |
Total number of observations | 1474 | 4855 | |
Number of reflections | 24885 | ||
<I/σ(I)> | 19.9 | 28.9 | 2.4 |
Completeness [%] | 95.4 | 70.1 | 68.5 |
Redundancy | 9.6 | 9.7 | 5.5 |
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 |