2OYL

Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like imidazole 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	2005-12-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	53.752, 93.246, 94.432
Unit cell angles	90.00, 98.35, 90.00

Refinement procedure

Resolution	53.150 - 1.800
R-factor	0.175
Rwork	0.174
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2osw
RMSD bond length	0.007
RMSD bond angle	1.111
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.390
Total number of observations		89817
Number of reflections	85295
<I/σ(I)>	8.1	2
Completeness [%]	100.0	100
Redundancy	7.3	7.2

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