1GZQ

CD1b in complex with Phophatidylinositol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-15
Detector	ADSC QUANTUM 210
Spacegroup name	C 2 2 21
Unit cell lengths	87.881, 176.998, 75.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.300 - 2.260
R-factor	0.203
Rwork	0.203
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PARTIALLY REFINED STRUCTURE OF CD1B-GM2 COMPLEX
RMSD bond length	0.008
RMSD bond angle	1.420 *
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]	25.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.051	0.206
Total number of observations	337867 *
Number of reflections	27623 *
<I/σ(I)>	39.1	15.8
Completeness [%]	92.3	89.8
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.1	20 *	20 DEGREES 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	EG3350	20 (%(w/v))	pH7.1
3	1	drop	protein	5 (mg/ml)