6I8Z
Crystal structure of PTK2 in complex with BI-4464.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-09-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9102 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.050, 77.090, 82.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.770 - 1.990 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2etm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.770 | 20.770 | 2.110 |
| High resolution limit [Å] | 1.990 | 7.790 | 1.990 |
| Rmerge | 0.064 | 0.022 | 0.406 |
| Rmeas | 0.076 | 0.027 | 0.483 |
| Total number of observations | 133472 | ||
| Number of reflections | 40206 | 693 | 6481 |
| <I/σ(I)> | 13.48 | 38.75 | 2.82 |
| Completeness [%] | 96.9 | 93.6 | 97.6 |
| Redundancy | 3.32 | 3.117 | 3.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 7%PEG1500, 100 mM SPG buffer, 5 mg/mL |
