2OSX

Endo-glycoceramidase II from Rhodococcus sp.: Ganglioside GM3 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	77.801, 61.984, 102.846
Unit cell angles	90.00, 112.25, 90.00

Refinement procedure

Resolution	46.230 - 1.100
R-factor	0.122
Rwork	0.121
R-free	0.13900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.468
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.734	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.054	0.463
Total number of observations		99776
Number of reflections	171712
<I/σ(I)>	9.2	1.5
Completeness [%]	93.8	89.9
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	20% (w/v) PEG 3350; 0.175 M NaCl; 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K