8HJB

Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A

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	2022-01-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 41
Unit cell lengths	44.043, 44.043, 228.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.250 - 2.650
R-factor	0.2511
Rwork	0.239
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y0z
RMSD bond length	0.002
RMSD bond angle	0.573
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.183	0.799
Number of reflections	12549	632
<I/σ(I)>	9.1
Completeness [%]	99.4	99.8
Redundancy	5.4
CC(1/2)	0.981	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% glycerol, 30% (w/v) PEG 4000, 0.2 M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride