6QKR
2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked 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 | 2017-05-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.670, 86.050, 96.900 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 30.240 - 2.200 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qkg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 67546 | 6488 |
| <I/σ(I)> | 20.7 | 2.5 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277.15 | PEG 4000/3350, NaF, Silver bullet solution A12/BioD4 |
