6FAH
Molecular basis of the flavin-based electron-bifurcating caffeyl-CoA reductase reaction
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 | 2013-06-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 213.740, 144.260, 102.840 |
| Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
| Resolution | 49.522 - 3.133 |
| R-factor | 0.2368 |
| Rwork | 0.234 |
| R-free | 0.28620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kpu 4l1f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.897 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 40990 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.8 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | PEG 4000, Tris/HCl, Lithium sulphate |
