3EG0
Crystal structure of the N114T 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 | 2006-05-04 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 49.754, 49.754, 45.126 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.227 |
Rwork | 0.221 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1abq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.818 |
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] | 43.073 | 2.350 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.073 | 0.417 |
Number of reflections | 3153 | |
<I/σ(I)> | 3.48 | |
Completeness [%] | 99.8 | 98.4 |
Redundancy | 9.38 | 3.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, pH 7, vapor diffusion, hanging drop, temperature 288K |