3RE9

Crystal structure of sortaseC1 from Streptococcus suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-13
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	50.343, 101.021, 36.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.940 - 2.400
R-factor	0.20873
Rwork	0.206
R-free	0.26104
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.540
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.940	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.221
Number of reflections	7831
<I/σ(I)>	11.8	6.6
Completeness [%]	99.7	100
Redundancy	6.7	6.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris-HCL, 0.54M sodium citrate, 8% V/V iso-propanol, 8% V/V tert-butanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
2