8D4O

Crystal Structure of the Neutrophil Serine Protease Inhibitor Eap1 from S. aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97243
Spacegroup name	P 1
Unit cell lengths	37.623, 48.091, 55.161
Unit cell angles	84.26, 89.92, 72.96

Refinement procedure

Resolution	37.080 - 1.450
R-factor	0.1696
Rwork	0.169
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1YN3_A
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.066	0.036	0.259
Rmeas	0.078	0.042	0.323
Rpim	0.041	0.022	0.189
Total number of observations	195869
Number of reflections	57248	5942	4844
<I/σ(I)>	16.5
Completeness [%]	88.0	91.3	74.4
Redundancy	3.4	3.7	2.1
CC(1/2)		0.971	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate trihydrate, 2.0 M sodium chloride