8SDP

HTRA-1 PDSA bound to CKP 3A7

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]	93
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	48.270, 86.790, 199.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 2.870
R-factor	0.2774
Rwork	0.276
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	2.980
High resolution limit [Å]	2.870	2.870
Rmerge	0.096	1.210
Rmeas	0.114	1.450
Number of reflections	11508	576
<I/σ(I)>	13	1.6
Completeness [%]	90.5	64.1
Redundancy	6.3	5.7
CC(1/2)	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	15% PEG 20000, 0.1M HEPES pH 7.5