6SEP
Crystal Structure of the Homospermidine Synthase (HSS) variant W229E 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 | 2017-04-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 60.170, 109.864, 158.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.310 - 2.200 |
| R-factor | 0.1957 |
| Rwork | 0.193 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4plp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.605 |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.860 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmeas | 1.234 | 0.777 |
| Number of reflections | 85769 | 3354 |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 98.7 | |
| Redundancy | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | Sodium acetate, Ammonium acetate, PEG 10000, NDSB-201, Agmatine sulfate |
