8D4S

Crystal Structure of Cathepsin G Inhibited 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	2020-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	F 2 2 2
Unit cell lengths	158.189, 165.650, 321.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.520 - 1.950
R-factor	0.2103
Rwork	0.210
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgh 8d4o
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	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.232	0.231	1.642
Rmeas	0.251	0.249	1.835
Rpim	0.093	0.093	0.807
Total number of observations	1054098
Number of reflections	152193	15596	15090
<I/σ(I)>	9.1
Completeness [%]	99.9	99.8	99.9
Redundancy	6.9	7.1	4.9
CC(1/2)		0.962	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350