8IX9

Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	192.226, 48.153, 128.305
Unit cell angles	90.00, 129.70, 90.00

Refinement procedure

Resolution	25.109 - 2.198
R-factor	0.1778
Rwork	0.176
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.676
Data reduction software	PROTEUM
Data scaling software	PROTEUM
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.120	2.280
High resolution limit [Å]	2.198	2.200
Number of reflections	90500	4378
<I/σ(I)>	11.3
Completeness [%]	98.8
Redundancy	8.2
CC(1/2)	0.995	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	20% PEG3350, 200mM Ammonium Formate.