6C46

Crystal structure of dTDP-4-dehydrorhamnose 3,5-epimerase from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-29
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	139.340, 62.240, 131.020
Unit cell angles	90.00, 105.02, 90.00

Refinement procedure

Resolution	40.032 - 1.950
R-factor	0.1613
Rwork	0.160
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzr
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.032	40.032	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.077	0.032	0.536
Rmeas	0.080	0.033	0.573
Number of reflections	77001	946	5248
<I/σ(I)>	23.01	64.33	3.87
Completeness [%]	97.0	98.6	89.8
Redundancy	12.893	13.754	7.93
CC(1/2)	0.999	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	22.4 mg/mL ElanA.18372.a.B1 with Molecular Dimensions Morpheus screen A2 (10% w/v PEG20000, 20% v/v PEG550 MME, 30 mM magnesium chloride, 30 mM calcium chloride, 100 mM MES/imidazole, pH 6.5), cryoprotection: direct, tray 296494 A2, puck esb5-10.