5NSW
Xenon for tunnelling analysis of the efflux pump component OprN.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.771 |
| Spacegroup name | I 4 |
| Unit cell lengths | 256.412, 256.412, 81.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.420 - 2.500 |
| R-factor | 0.17491 |
| Rwork | 0.171 |
| R-free | 0.23938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iuy |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.176 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 181.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.190 |
| Rpim | 0.070 |
| Number of reflections | 91716 |
| <I/σ(I)> | 4.5 |
| Completeness [%] | 100.0 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | 100 mM sodium acetate, 1 M sodium formate, 10 % PEG 4000 (w/v) |
