8IWG

Pseudomoans Aerugiona Wildtype Ketopantoate Reductase native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-01
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	67.098, 47.691, 96.271
Unit cell angles	90.00, 99.31, 90.00

Refinement procedure

Resolution	28.704 - 2.150
R-factor	0.1967
Rwork	0.195
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.682
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.710	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	33097	3276
<I/σ(I)>	8.6
Completeness [%]	100.0
Redundancy	10.4
CC(1/2)	0.990	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	H