6Z07

PqsR (MvfR) in complex with antagonist 12

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	120.790, 120.790, 114.393
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.470 - 2.950
Rwork	0.200
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jvc 6q7w
RMSD bond length	0.008
RMSD bond angle	1.671
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]	60.470	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.089	1.079
Number of reflections	10879	1704
<I/σ(I)>	12.6
Completeness [%]	100.0
Redundancy	9.6
CC(1/2)	0.998	0.917

Crystallization Conditions

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