6Z5K

PqsR (MvfR) in complex with antagonist 18

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	118.911, 118.911, 115.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.972 - 3.201
Rwork	0.203
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jvc 6q7w
RMSD bond length	0.002
RMSD bond angle	1.236
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.460	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.061	0.398
Number of reflections	7628	1370
<I/σ(I)>	16.6
Completeness [%]	92.4
Redundancy	9
CC(1/2)	0.997	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM Sodium citrate, 200 mM Ammonium acetate and 5% MPD