3R69

Molecular analysis of the interaction of the HDL-receptor SR-BI with the PDZ3 domain of its adaptor protein PDZK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	47.638, 61.396, 64.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.930 - 1.499
R-factor	0.2016
Rwork	0.200
R-free	0.22549
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r68
RMSD bond length	0.018
RMSD bond angle	1.718
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.499	1.499
Number of reflections	29138
Completeness [%]	94.5	66.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	291	0.1 M citric acid pH 3.5, 25% PEG 3350, 5% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 291K