8DML
Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-16 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.603, 41.763, 168.956 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 44.780 - 2.080 |
| R-factor | 0.1896 |
| Rwork | 0.188 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kew |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.775 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.080 | 5.640 | 2.080 |
| Rmerge | 0.087 | 0.040 | 0.272 |
| Rmeas | 0.101 | 0.046 | 0.354 |
| Rpim | 0.050 | 0.022 | 0.224 |
| Total number of observations | 193410 | ||
| Number of reflections | 57573 | 3159 | 2115 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 94.5 | 97.5 | 70.4 |
| Redundancy | 3.4 | 3.9 | 1.7 |
| CC(1/2) | 0.998 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 18% PEG 3350, 0.2 M calcium chloride, 10 mM Tris, 10 mM sodium chloride, 0.5 mM chenodeoxycholine, 35% ethylene glycol |
