6GNJ
Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101
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 | 2017-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.398, 59.357, 120.641 |
| Unit cell angles | 90.00, 125.84, 90.00 |
Refinement procedure
| Resolution | 48.900 - 3.240 |
| R-factor | 0.177 |
| Rwork | 0.173 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gn0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| 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] | 50.000 | 3.430 |
| High resolution limit [Å] | 3.240 | 3.240 |
| Rmerge | 0.351 | 1.730 |
| Number of reflections | 14937 | 2326 |
| <I/σ(I)> | 5.1 | 1 |
| Completeness [%] | 98.7 | 95.6 |
| Redundancy | 6.8 | 6.7 |
| CC(1/2) | 0.988 | 0.468 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 40% MPD, 7% PEG 8000, 0.1M Sodium Cacodylate |
