6SB1

Crystal structure of murine perforin-2 P2 domain crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-23
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.96861
Spacegroup name	P 1 21 1
Unit cell lengths	70.530, 31.270, 103.650
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	57.632 - 2.050
R-factor	0.2135
Rwork	0.212
R-free	0.24280
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	1.093
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (dev_2645)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.980	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	28963	7980
<I/σ(I)>	12.7
Completeness [%]	99.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M MES pH6.0, 10% PEG6000, 4mM L-cysteine