6GNK
Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.920, 56.770, 120.350 |
| Unit cell angles | 90.00, 126.45, 90.00 |
Refinement procedure
| Resolution | 48.400 - 2.550 |
| R-factor | 0.216 |
| Rwork | 0.215 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gn0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 1.280 |
| Number of reflections | 30578 | 4821 |
| <I/σ(I)> | 14.2 | 1.1 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 6 | 5.7 |
| CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 50% MPD, 8% PEG 8000, 0.1M Sodium Cacodylate |
