7QVS

Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00 A
Spacegroup name	P 41 2 2
Unit cell lengths	88.770, 88.770, 174.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.300
R-factor	0.1989
Rwork	0.197
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2an1
RMSD bond length	0.013
RMSD bond angle	1.516
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.097	2.340
High resolution limit [Å]	2.300	2.300
Rmerge		0.656
Rmeas		0.669
Rpim		0.131
Number of reflections	31752	1551
<I/σ(I)>	39.2	5.4
Completeness [%]	100.0	99.7
Redundancy	20	15
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 mM Tris pH 8.5, 0.8 mM AmSO4