6XIU
ETEC Rns bound to a potential inhibitor, decanoic acid
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 | 2018-04-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979351 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.240, 95.150, 133.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.390 - 3.000 |
R-factor | 0.2611 |
Rwork | 0.257 |
R-free | 0.30170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SeMet-Rns |
RMSD bond length | 0.012 |
RMSD bond angle | 1.358 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.390 | 3.107 |
High resolution limit [Å] | 2.999 | 3.000 |
Number of reflections | 12803 | 1219 |
<I/σ(I)> | 7.29 | |
Completeness [%] | 99.2 | |
Redundancy | 6.4 | |
CC(1/2) | 0.997 | 0.549 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M succinnic acid, 14% PEG 3350, 0.03 M glycyl-glycyl-gylcine |