8IXM

Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and alpha-Ketoisocaproic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-05
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	66.587, 46.769, 95.775
Unit cell angles	90.00, 98.11, 90.00

Refinement procedure

Resolution	23.416 - 1.960
R-factor	0.194
Rwork	0.192
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.616
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.420	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	42331	4206
<I/σ(I)>	12
Completeness [%]	99.7
Redundancy	9.1
CC(1/2)	0.998	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	16% PEG 8000, 100mM CHES 9.5