6QKX
2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | I 41 |
| Unit cell lengths | 176.860, 176.860, 49.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.418 - 2.400 |
| R-factor | 0.2313 |
| Rwork | 0.229 |
| R-free | 0.27350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qkr |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.915 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.486 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 29947 | 2975 |
| <I/σ(I)> | 12.9 | 2.1 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 5.7 | 6.1 |
| CC(1/2) | 0.998 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277.15 | PEG 3350, NaF |
