9X6M

Crystal structure of Klebsiella oxytoca ribitol dehydrogenase in complex with D-allose

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	2023-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	64.184, 102.899, 81.488
Unit cell angles	90.00, 110.14, 90.00

Refinement procedure

Resolution	40.972 - 1.730
R-factor	0.1612
Rwork	0.160
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.778
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.730	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.062	0.624
Rmeas	0.074	0.750
Rpim	0.040	0.411
Total number of observations		16122
Number of reflections	102862	5027
<I/σ(I)>	12.3	2
Completeness [%]	99.4
Redundancy	3.4	3.2
CC(1/2)	0.998	0.695

Crystallization Conditions

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