3SM8
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with an (N5) Flavin Adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.80000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.072, 77.933, 89.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.070 |
| R-factor | 0.1446 |
| Rwork | 0.145 |
| R-free | 0.16540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3YNE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.438 | |
| Number of reflections | 187536 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 98.6 | 80.8 |
| Redundancy | 10.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | Crystals were grown by the hanging drop vapor diffusion method using a well solution of 0.1M 2-(N-morpholino)-ethanesulfonic acid (MES) pH 6.5-7.0, 5% glycerol, and 6-10% (w/v) PEG6000., VAPOR DIFFUSION, HANGING DROP, temperature 277K |
