6Z17

PqsR (MvfR) in complex with antagonist 6

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	2019-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	120.266, 120.266, 115.038
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.130 - 3.150
Rwork	0.195
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q7w 4jvc
RMSD bond length	0.008
RMSD bond angle	1.653
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]	60.130	3.370
High resolution limit [Å]	3.150	3.150
Rmerge	0.084	0.803
Number of reflections	8476	1514
<I/σ(I)>	13.9
Completeness [%]	95.7
Redundancy	10.1
CC(1/2)	0.970	0.966

Crystallization Conditions

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