4WPG

Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.89
Spacegroup name	P 1
Unit cell lengths	36.482, 45.977, 48.867
Unit cell angles	66.30, 81.21, 95.27

Refinement procedure

Resolution	43.770 - 1.100
R-factor	0.1302
Rwork	0.129
R-free	0.15494
RMSD bond length	0.022
RMSD bond angle	2.073
Data reduction software	iMOSFLM
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	1.140
High resolution limit [Å]	1.100	1.100
Number of reflections	108172
<I/σ(I)>	22.5	5.7
Completeness [%]	94.0	85.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.02 M of each carboxylic acid (0.2 M sodium formate, 0.2 M ammonium acetate, 0.2 M trisodium citrate, 0.2 M sodium potassium L-tartrate, 0.2 M sodium oxamate) and 0.1 M MES/imidazole pH 6.5