6YKG
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.864, 168.115, 61.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.730 - 3.120 |
| Rwork | 0.215 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i3u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.851 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.730 | 3.340 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Number of reflections | 15383 | 2732 |
| <I/σ(I)> | 9 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3 | |
| CC(1/2) | 0.999 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.4 M sodium malonate pH 7.0, 0.1 M BIS-TRIS |
