7UA2

Pfs230 D1 domain in complex with 230AL-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	152.650, 77.930, 58.780
Unit cell angles	90.00, 99.22, 90.00

Refinement procedure

Resolution	36.560 - 2.190
R-factor	0.2233
Rwork	0.222
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.005
RMSD bond angle	0.709
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.560	2.250
High resolution limit [Å]	2.190	2.190
Number of reflections	34043	2344
<I/σ(I)>	8.89
Completeness [%]	97.2
Redundancy	3
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M magnesium formate, 20% PEG 3350