6FD2
Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 121.820, 121.820, 233.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.081 - 2.550 |
| R-factor | 0.2292 |
| Rwork | 0.228 |
| R-free | 0.26250 |
| Structure solution method | MAD |
| Starting model (for MR) | 4jc0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.982 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.11rc3_2542: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.100 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 65691 | |
| <I/σ(I)> | 12.22 | 1.93 |
| Completeness [%] | 99.2 | 92.5 |
| Redundancy | 6.4 | 4.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% polyethylene glycol 6000, 0.1 M MES buffer pH 6 |
