8D7I

Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by 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	2021-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	102.230, 152.270, 296.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.640 - 3.630
R-factor	0.1876
Rwork	0.186
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hne 1au8 8d4o
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (v1.9.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.640	84.900	3.760
High resolution limit [Å]	3.630	7.820	3.630
Rmerge	0.040	0.012	0.156
Rpim	0.040	0.012	0.156
Number of reflections	53125	5595	5226
<I/σ(I)>	5.1	38.9	5.1
Completeness [%]	99.9	99.7	100
Redundancy	2	2	2
CC(1/2)	0.998	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	0.1M BisTris, 0.2M sodium/potassium tartrate, 14% PEG-8000