6S6G
Crystal Structure of the Homospermidine Synthase (HSS) variant E117Q from Blastochloris viridis in Complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 60.340, 110.551, 158.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.383 - 1.600 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4plp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.946 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.220 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.133 | |
| Number of reflections | 134938 | 3613 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.5 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | Sodium acetate, Ammonium acetate, PEG 10000, NDSB-201, Agmatine sulfate |
