6Y87
Crystal Structure of the Homospermidine Synthase (HSS) from Pseudomonas aeruginosa in Complex with NAD and PUT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2017-11-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 103.242, 103.242, 548.005 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.310 - 2.150 |
| R-factor | 0.2049 |
| Rwork | 0.203 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4plp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.670 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rpim | 1.325 | |
| Number of reflections | 179714 | 8374 |
| <I/σ(I)> | 5.1 | 1 |
| Completeness [%] | 98.7 | 94.1 |
| Redundancy | 5.9 | |
| CC(1/2) | 0.974 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | HEPES, Poly(acrylic acid sodium salt) 5,100, agmatine sulfate, ATP |
