1OCS

Crystal structure of the yeast PX-doamin protein Grd19p (sorting nexin3) complexed to phosphatidylinosytol-3-phosphate.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Collection date	2002-02-15
Wavelength(s)	0.9797,0.9803,0.98,0.9825
Spacegroup name	P 61 2 2
Unit cell lengths	55.730, 55.730, 187.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.030
R-factor	0.2173
Rwork	0.217
R-free	0.24700 *
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.065	0.296
Total number of observations	60571 *
Number of reflections	17289 *
<I/σ(I)>	13.6	2.5
Completeness [%]	99.7	98.1
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8	293 *	16% PEG 4000, 0.1M NA-HEPES PH7,5, pH 6.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	PEG4000	16 (%)
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5