4F6L
Crystal structure of Aureusimine biosynthetic cluster reductase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.812, 107.778, 127.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.626 - 3.856 |
| R-factor | 0.2044 |
| Rwork | 0.200 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.840 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.970 |
| High resolution limit [Å] | 3.856 | 3.900 |
| Rmerge | 0.132 | |
| Number of reflections | 13944 | |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% (w/v) PEG8000, 0.1 M Tris pH 7, 0.2 M MgCl2., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
