3EG2
Crystal structure of the N114Q 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 | 2006-03-09 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 44.679, 52.998, 41.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.250 - 1.800 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eg3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.061 |
| 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] | 41.101 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.043 | 0.180 |
| Number of reflections | 4354 | |
| <I/σ(I)> | 3.88 | |
| Completeness [%] | 91.3 | 67.9 |
| Redundancy | 6.13 | 1.11 |
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 |
