9X6O

Crystal structure of Klebsiella oxytoca ribitol dehydrogenase in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	61.399, 61.509, 70.873
Unit cell angles	113.71, 92.14, 109.32

Refinement procedure

Resolution	30.190 - 1.890
R-factor	0.1817
Rwork	0.180
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.027	0.520
Rmeas	0.032	0.610
Rpim	0.017	0.317
Total number of observations		15999
Number of reflections	68325	4420
<I/σ(I)>	22.6	2.3
Completeness [%]	97.1
Redundancy	3.5	3.6
CC(1/2)	1.000	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	calcium acetate, PEG400, acetate, NAD+