6JPI

Crystal structure of PA4674 in complex with its operator DNA (28bp) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	77.800, 90.700, 91.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 3.143
R-factor	0.2218
Rwork	0.215
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3trb
RMSD bond length	0.013
RMSD bond angle	1.507
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.230
High resolution limit [Å]	3.140	3.140
Rmerge	0.109	0.685
Rmeas	0.120	0.754
Number of reflections	11506	807
<I/σ(I)>	11.2	1.1
Completeness [%]	98.3	94.3
Redundancy	6.6	3.8
CC(1/2)	0.990	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1M MES, 35% 3-methyl-1,5-pentane diol, 0.2M lithium sulfate