7YOA

High-resolution crystal structure of the mouse alpha-defensin cryptdin 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 65 2 2
Unit cell lengths	54.436, 54.436, 99.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.220 - 1.670
R-factor	0.2241
Rwork	0.223
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gw9
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.670	4.530	1.670
Rmerge	0.053	0.044	0.318
Rmeas	0.054	0.045	0.323
Rpim		0.008	0.056
Number of reflections	17321	641	460
<I/σ(I)>	9.5
Completeness [%]	98.7	99.8	88.5
Redundancy	35.4	31.7	29
CC(1/2)		0.999	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	300	0.1 M Sodium acetate trihydrate;1.5 M ammonium sulfate