7NRE
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000009 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 69.995, 82.563, 94.305 |
Unit cell angles | 90.00, 108.64, 90.00 |
Refinement procedure
Resolution | 46.602 - 2.300 |
R-factor | 0.2059 |
Rwork | 0.204 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qgw |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.602 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.156 | 1.456 |
Rmeas | 0.172 | 1.602 |
Rpim | 0.072 | 0.660 |
Number of reflections | 22630 | 2230 |
<I/σ(I)> | 7.1 | 1.3 |
Completeness [%] | 99.7 | 98.8 |
Redundancy | 11.7 | 8.7 |
CC(1/2) | 0.997 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.06 M Magnesium chloride/Calcium Chloride, 0.1 M imidazole/2-(N-morpholino)ethanesulfonic acid pH 6.5, 12.5% v/v 2-Methyl-2,4-pentanediol, 12.5% w/v Polyethylene glycol 1,000, and 12.5% w/v Polyethylene glycol 3,350 |