1NYW

The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	120
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 1 21 1
Unit cell lengths	50.586, 47.895, 72.417
Unit cell angles	90.00, 99.02, 90.00

Refinement procedure

Resolution	29.880 - 1.600
R-factor	0.17486
Rwork	0.173
R-free	0.21700 *
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.820 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.280 *	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.083 *	0.292 *
Total number of observations	383364 *
Number of reflections	43352
<I/σ(I)>	5.2	1.8
Completeness [%]	95.7	79.8
Redundancy	3.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	298	0.1 M Tris, 4 mM NiCl2,40% PEG 2000, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.4
3	1	reservoir		4 (mM)
4	1	reservoir	PEG2000	40 (%)
5	1	drop	dTDP-D-glucose	20 (mM)