6HD4
ABL1 IN COMPLEX WITH COMPOUND 7 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 | 2010-08-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.160, 65.025, 66.086 |
| Unit cell angles | 73.00, 80.52, 84.88 |
Refinement procedure
| Resolution | 40.400 - 2.030 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.22280 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1opj |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.120 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.031 | 0.187 |
| Number of reflections | 39687 | |
| <I/σ(I)> | 15.82 | 4.08 |
| Completeness [%] | 92.7 | 92.8 |
| Redundancy | 1.8 | 1.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20.0 % PEG 4000, 0.2 M MGCL2, 0.1 M MES PH 5.6 |
