6Z0E

HtrA1 inactive protease domain S328A with CARASIL mutation R274Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	109.860, 109.860, 114.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.020 - 2.600
R-factor	0.2391
Rwork	0.238
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tjo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18rc2_3794)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.020	49.020	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.329	0.047	2.534
Rmeas	0.346	0.049	2.667
Total number of observations	163941
Number of reflections	15840	180	1174
<I/σ(I)>	9.44	52.2	1
Completeness [%]	100.0	98.9	100
Redundancy	10.35	11.55	10.272
CC(1/2)	0.989	0.999	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1 M LiCl, 20% PEG6000, 0.1M Citrate pH 5.0