7VGK

Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-08
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	94.190, 130.980, 157.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.120 - 3.100
R-factor	0.1963
Rwork	0.194
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ywk
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rmerge		0.596
Rmeas	0.098
Rpim	0.044	0.265
Number of reflections	35643	1735
<I/σ(I)>	20.8
Completeness [%]	99.4
Redundancy	5.7
CC(1/2)		0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG 8000, magnesium acetate