6DKH

The crystal structure of L-idonate 5-dehydrogenase from Escherichia coli str. K-12 substr. MG1655

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97894
Spacegroup name	P 1 21 1
Unit cell lengths	78.055, 77.646, 128.350
Unit cell angles	90.00, 92.62, 90.00

Refinement procedure

Resolution	38.987 - 2.608
R-factor	0.2028
Rwork	0.200
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3j
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.640
High resolution limit [Å]	2.608	2.608
Rmerge	0.097	0.764
Rmeas	0.115	0.901
Rpim	0.061	0.475
Number of reflections	45516	2268
<I/σ(I)>	14.5	1.4
Completeness [%]	96.9	98.1
Redundancy	3.4	3.5
CC(1/2)		0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	0.1M Tris, 28% PEG4000, 2.5 mM NADPH