6NDR

Crystal structure of dTDP-6-deoxy-D-glucose-3,5-epimerase RmlC from Legionella pneumophila Philadelphia 1 in complex with dTDP-4-KETO-L-RHAMNOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-26
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	103.380, 46.160, 102.030
Unit cell angles	90.00, 112.29, 90.00

Refinement procedure

Resolution	47.202 - 1.600
R-factor	0.1514
Rwork	0.150
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ixi as per MorDa
RMSD bond length	0.009
RMSD bond angle	1.019
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]	47.202	47.202	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.030	0.024	0.359
Rmeas	0.033	0.026	0.442
Number of reflections	57363	715	3853
<I/σ(I)>	24.2	69.54	3.02
Completeness [%]	97.0	99.2	88.9
Redundancy	4.036	6.75	2.835
CC(1/2)	1.000	1.000	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	285	Microlytic MCSG1 screen, condition E4: 200mM Lithium sulfate, 25% PEG 3350, 100mM Tris base / HCl pH 8.5: LepnA.18372.a.B1.PW38444 at 17.2mg/ml. Cryo: 20% EG: tray: 300303e4g8: puck uhg9-6.