7U5B

Structure of Human KLK5 bound to anti-KLK5 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9876
Spacegroup name	F 2 2 2
Unit cell lengths	83.686, 283.624, 295.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.875 - 2.371
R-factor	0.224
Rwork	0.222
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psx
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.875	2.379
High resolution limit [Å]	2.371	2.371
Number of reflections	806688	2797
<I/σ(I)>	10.4
Completeness [%]	99.1	97
Redundancy	9.3	9.8
CC(1/2)	0.995	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	15% PEG4K, 0.1 M MgSO4 and 0.1 M sodium citrate pH 5.0