4Y1S

Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953697
Spacegroup name	P 21 21 21
Unit cell lengths	37.700, 43.211, 68.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.482 - 1.611
R-factor	0.1671
Rwork	0.166
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nsj
RMSD bond length	0.011
RMSD bond angle	1.286
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.482	1.669
High resolution limit [Å]	1.611	1.611
Rmerge	0.216	0.547
Number of reflections	14926
<I/σ(I)>	30.06	4.83
Completeness [%]	99.9	98.9
Redundancy	7.1	6.8
CC(1/2)	0.979	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1M MES pH 6.0, 0.2 M NaCl and 20% (w/v) polyethylene glycol 2000 monomethyl ether