8SE7

HTRA-1 PDSA bound to CKP 1A8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	91
Detector technology	PIXEL
Collection date	2022-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	116.030, 152.721, 165.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.230 - 2.960
R-factor	0.2707
Rwork	0.270
R-free	0.29570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.507
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]	54.230	3.070
High resolution limit [Å]	2.960	2.960
Rmerge	0.129	1.270
Rmeas	0.154	1.519
Rpim	0.083	0.821
Number of reflections	48024	2402
<I/σ(I)>	12.9	1.4
Completeness [%]	94.8
Redundancy	6.2
CC(1/2)	0.948	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	6%(w/v) PEG20000, 0.04M HEPES pH 7.5, 15%(w/v) PEG 3350, 0.06M Citric acid pH 3.5