8SDM

HTRA-1 PDSA bound to CKP 3B3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	47.694, 84.607, 201.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.450 - 3.050
R-factor	0.2616
Rwork	0.260
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.819	3.156
High resolution limit [Å]	3.010	3.010
Rmerge	0.168	0.752
Rmeas	0.203	0.956
Rpim		0.596
Number of reflections	7422	358
<I/σ(I)>	3.9	1.8
Completeness [%]	82.4	45.2
Redundancy	5.5	4
CC(1/2)	0.998	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	15% PEG 20000, 0.1M HEPES pH 7.5