3P3V

Crystal structure of a PTS dependent N-acetyl-galactosamine-IIB component (agaV, SPy_0631) from Streptococcus pyogenes at 1.65 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97934,0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	42.139, 80.696, 47.213
Unit cell angles	90.00, 105.26, 90.00

Refinement procedure

Resolution	28.638 - 1.650
R-factor	0.1602
Rwork	0.158
R-free	0.19390
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.550
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.638	28.638	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge		0.040	0.491
Total number of observations		1358	9724
Number of reflections	36409
<I/σ(I)>	11.6	16.6	1.6
Completeness [%]	99.3	92.3	99
Redundancy	3.7	3.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	30.00% polyethylene glycol 6000, 0.1M HEPES pH 7.0, Additive: 0.005 M Mannose, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K