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 |