9Y2H

Crystal structure of MrtR bound to 7Z-3OH-C14 homoserine lactone

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	C 1 2 1
Unit cell lengths	67.100, 120.793, 122.601
Unit cell angles	90.00, 98.58, 90.00

Refinement procedure

Resolution	42.800 - 3.060
R-factor	0.25799
Rwork	0.256
R-free	0.29424
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.842
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	3.111
High resolution limit [Å]	3.060	3.060
Number of reflections	17089	909
<I/σ(I)>	4
Completeness [%]	93.2	100
Redundancy	6.07
CC(1/2)	0.954	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	magnesium chloride, calcium chloride, sodium HEPES, MOPS, ethylene glycol, PEG 8000, N-(3-hydroxy-7-cis-tetradecenoyl)-L-homoserine lactone