6K1R

Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa in complex with NAD+ and ketopantoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-11
Detector	Bruker PHOTON III
Wavelength(s)	1.5
Spacegroup name	P 42 21 2
Unit cell lengths	129.995, 129.995, 155.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.980 - 2.550
R-factor	0.245
Rwork	0.244
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zik
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.460	2.640
High resolution limit [Å]	2.550	2.550
Number of reflections	104626	4295
<I/σ(I)>	18.1	2.2
Completeness [%]	100.0	100
Redundancy	28.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	297	1.3M Sodium-Potassium-Tartarate, 50mM BICINE pH 7.5, 20 mM NAD+