6YZ3

PqsR (MvfR) in complex with antagonist 19

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	119.318, 119.318, 114.758
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.730 - 3.000
Rwork	0.194
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jvc 6q7w
RMSD bond length	0.008
RMSD bond angle	1.343
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.730	3.180
High resolution limit [Å]	3.000	3.000
Rmerge		1.677
Number of reflections	10169	1599
<I/σ(I)>	17.1	1.7
Completeness [%]	100.0
Redundancy	19.2
CC(1/2)	0.999	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293.15	100 mM Sodium citrate, 0.2 M Ammonium Acetate and 3% MPD