9X6L

Crystal structure of Klebsiella oxytoca ribitol dehydrogenase

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	2022-11-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	64.049, 102.658, 80.984
Unit cell angles	90.00, 109.86, 90.00

Refinement procedure

Resolution	42.600 - 1.970
R-factor	0.18611
Rwork	0.184
R-free	0.22373
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.378
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	2.010
High resolution limit [Å]	1.970	1.970
Rmerge	0.092	0.608
Rmeas	0.109	0.731
Rpim	0.059	0.401
Total number of observations		14739
Number of reflections	69343	4540
<I/σ(I)>	9	2.1
Completeness [%]	99.6
Redundancy	3.4	3.2
CC(1/2)	0.994	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	lithium sulfate, PEG3350, Tris