1GZP

CD1b in complex with GM2 ganglioside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-15
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	87.527, 176.885, 75.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 * - 2.800
R-factor	0.225
Rwork	0.225
R-free	0.27400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cd1
RMSD bond length	0.012
RMSD bond angle	1.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.103	0.325
Total number of observations	89500 *
Number of reflections	13203 *
<I/σ(I)>	13.7	1.8
Completeness [%]	88.8 *	71.1
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.1	20 *	20 DEGREE C 2UL OF PROTEIN + 1UL OF MOTHER LIQUOR 0.2M LITHIUM NITRATE 20% W/V POLYETHYLENE GLYCOL 3350, PH 7.1

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	lithium nitrate	0.2 (M)
2	1	reservoir	PEG3350	20 (%(w/v))	pH7.1
3	1	drop	protein	5 (mg/ml)