7UC8

Pfs230 D1 domain in complex with 230AS-73

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	2021-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	89.460, 89.460, 225.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 2.900
R-factor	0.217
Rwork	0.215
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.003
RMSD bond angle	0.719
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]	19.850	2.980
High resolution limit [Å]	2.900	2.900
Number of reflections	44584	3320
<I/σ(I)>	9.98
Completeness [%]	99.5
Redundancy	6.5
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M sodium dihydrogen phosphate, 20% PEG 3350