6HD6
ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97810 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.080, 65.201, 66.347 |
| Unit cell angles | 73.30, 79.82, 84.54 |
Refinement procedure
| Resolution | 35.250 - 2.300 |
| R-factor | 0.17795 |
| Rwork | 0.175 |
| R-free | 0.23801 |
| Structure solution method | FOURIER SYNTHESIS |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.340 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.048 | 0.244 |
| Number of reflections | 27927 | |
| <I/σ(I)> | 14.29 | 3.16 |
| Completeness [%] | 94.4 | 95.2 |
| Redundancy | 1.99 | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 21.4 % PEG 4000, 0.2 M MGCL2, 0.1 M MES PH 5.6 |
