6CZS

Crystal structure of human pro-cathepsin H C26S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	98.242, 98.242, 106.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.121 - 1.660
R-factor	0.1825
Rwork	0.181
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8pch
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.120	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.087	1.658
Rmeas	0.089	1.700
Rpim	0.020	0.376
Number of reflections	70589	3478
<I/σ(I)>	20.4	2.2
Completeness [%]	100.0	100
Redundancy	19.3	20.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	0.1 M sodium phosphate dibasic / citric acid, pH 4.2, 2.0 M ammonium sulfate