3GDB

Crystal structure of Spr0440 glycoside hydrolase domain, Endo-D from Streptococcus pneumoniae R6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	135.140, 59.060, 94.890
Unit cell angles	90.00, 110.27, 90.00

Refinement procedure

Resolution	24.660 - 1.870
R-factor	0.16352
Rwork	0.161
R-free	0.20435
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.389
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.660	1.980
High resolution limit [Å]	1.860	1.860
Rmerge	0.066	0.406
Total number of observations	197385
Number of reflections	57291
<I/σ(I)>	14.7	3.1
Completeness [%]	97.1	88.4
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	289	20% w/v Polyethylene glycol 4000, 0.1M Sodium acetate trihydrate pH 4.6, 10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	4.6	289	20% w/v Polyethylene glycol 4000, 0.1M Sodium acetate trihydrate pH 4.6, 10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K