5AAN
Crystal structure of Drosophila NCS-1 bound to penothiazine FD44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.052, 54.961, 61.132 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.871 - 1.600 |
| R-factor | 0.1868 |
| Rwork | 0.185 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4by4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | |
| Number of reflections | 24712 | |
| <I/σ(I)> | 14.9 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.2 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M HEPES PH 7.5, 70% V/V 2-METHYL-2,4-PENTANEDIOL |
