6Z0X

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	2018-09-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91504
Spacegroup name	P 63
Unit cell lengths	103.520, 103.520, 147.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.880 - 3.100
R-factor	0.2261
Rwork	0.224
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tjo
RMSD bond length	0.001
RMSD bond angle	1.168
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]	48.880	48.880	3.190
High resolution limit [Å]	3.100	13.880	3.100
Rmerge	0.114	0.043	1.807
Rmeas	0.117	0.044	1.850
Total number of observations	317918
Number of reflections	15480	188	488
<I/σ(I)>	17.4	58.32	1.52
Completeness [%]	95.4	96.9	40.7
Redundancy	20.537	18.011	21.994
CC(1/2)	1.000	0.999	0.728

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