4OMO
Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E
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 | 2013-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033198 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.711, 45.464, 57.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.109 - 1.040 |
R-factor | 0.1489 |
Rwork | 0.148 |
R-free | 0.16760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.411 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.30) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.460 | 45.460 | 1.050 |
High resolution limit [Å] | 1.040 | 5.480 | 1.040 |
Rmerge | 0.069 | 0.063 | 0.773 |
Total number of observations | 4429 | 25814 | |
Number of reflections | 53404 | ||
<I/σ(I)> | 20.3 | 39.3 | 3.4 |
Completeness [%] | 99.2 | 99.6 | 84.5 |
Redundancy | 12.1 | 9.6 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Hepes, 2M ammonium sulphate, 5mM NiCl2, 5mM MBCD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |