7FEW

Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-13
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	135.270, 49.553, 64.384
Unit cell angles	90.00, 100.11, 90.00

Refinement procedure

Resolution	33.290 - 1.750
R-factor	0.1784
Rwork	0.177
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oz6
RMSD bond length	0.007
RMSD bond angle	0.849
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.290	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.024
Number of reflections	81214	3593
<I/σ(I)>	17.07
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.6 M Ammonium Sulphate, 0.1 M Bicine pH 9.0