4Z9R
Crystal structure of PfaD from Shewanella oneidensis in complex with NAD+ determined by in-situ diffraction.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2013-10-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.680, 106.680, 217.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.440 - 2.800 |
| R-factor | 0.21418 |
| Rwork | 0.212 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yx6 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.805 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.440 | |
| High resolution limit [Å] | 2.800 | |
| Rmerge | 0.278 | 0.971 |
| Number of reflections | 30357 | |
| <I/σ(I)> | 9.6 | 3.4 |
| Completeness [%] | 95.9 | 95.6 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M potassium/sodium tartate, 0.1 M Bis tris propane at pH 8.5 and 20 % (w/v) polyethylene glycol. |
