4BID
Crystal Structures of Ask1-inhibitor Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-16 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.950, 77.950, 418.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.250 - 2.800 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2clq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.410 |
| Number of reflections | 18622 | |
| <I/σ(I)> | 8 | 3.1 |
| Completeness [%] | 93.6 | 94.5 |
| Redundancy | 4.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 18% PEG3.4K, 0.2M NA ACETATE, 0.1M BIS-TRIS PH6.5, 0.2% ISOPROPANOL |
