8D4V

Crystal Structure of Cathepsin G Inhibited by Eap2 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	2020-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 2 21 21
Unit cell lengths	77.561, 80.273, 99.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.240 - 1.850
R-factor	0.209
Rwork	0.207
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgh 1yn3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.242	0.245	1.946
Rmeas	0.253	0.257	2.094
Rpim	0.075	0.076	0.759
Total number of observations	544796
Number of reflections	53684	5641	5297
<I/σ(I)>	7.9
Completeness [%]	99.6	99.2	99.6
Redundancy	10.1	11	6.8
CC(1/2)		0.968	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M BisTris (pH 6.5), 0.2M Ammonium Sulfate, 25%(w/v) PEG-3350