6NJ0
Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.918061 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.146, 74.424, 79.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.180 - 1.830 |
R-factor | 0.19854 |
Rwork | 0.196 |
R-free | 0.24434 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.917 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.180 | 1.880 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.142 | 0.631 |
Rmeas | 0.158 | 0.703 |
Rpim | 0.068 | 0.304 |
Number of reflections | 37301 | 2473 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 99.3 | 90.9 |
Redundancy | 10 | 9.7 |
CC(1/2) | 0.994 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PEG 4000, magnesium chloride, tris hydrochloride |