6Z0Y

HtrA1 inactive protease domain S328A with CARASIL mutations D174R 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	2019-06-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91953
Spacegroup name	P 63
Unit cell lengths	101.420, 101.420, 144.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.870 - 2.200
R-factor	0.2474
Rwork	0.247
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tjo
RMSD bond length	0.004
RMSD bond angle	0.698
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.870	47.870	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.108	0.055	4.094
Rmeas	0.111	0.057	4.193
Total number of observations	882436
Number of reflections	42814	496	3176
<I/σ(I)>	15.17	45.14	0.84
Completeness [%]	100.0	99	100
Redundancy	20.611	20.062	21.483
CC(1/2)	0.998	0.999	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	1.6 M ammonium sulfate, 100 mM Citrate pH 4