3EG3
Crystal structure of the N114A mutant of ABL-SH3 domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-19 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 44.819, 53.096, 41.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.770 - 1.400 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1abq |
RMSD bond length | 0.014 |
RMSD bond angle | 2.097 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.310 | 1.450 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.033 | 0.133 |
Number of reflections | 10303 | |
<I/σ(I)> | 7.3 | |
Completeness [%] | 92.3 | 82.2 |
Redundancy | 6.79 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3 | 288 | 2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, vapor diffusion, hanging drop, temperature 288K |