6NKI
Structure of PhqB Reductase Domain from Penicillium fellutanum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.636, 91.644, 124.596 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.820 - 2.600 |
| R-factor | 0.2706 |
| Rwork | 0.265 |
| R-free | 0.32450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.249 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.820 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmeas | 0.077 | 2.570 |
| Number of reflections | 14760 | 1433 |
| <I/σ(I)> | 20.5 | 1.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 13.3 | 12.7 |
| CC(1/2) | 1.000 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 10% PEG 8000, 200 mM MgCl2, 100 mM Tris pH 7.0 |
