7UA8

Pfs230 D1 domain in complex with 230AL-20

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	2019-08-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	153.470, 165.120, 44.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 2.800
R-factor	0.2506
Rwork	0.249
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.004
RMSD bond angle	0.832
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]	19.820	2.960
High resolution limit [Å]	2.800	2.800
Number of reflections	27889	4376
<I/σ(I)>	10.33
Completeness [%]	97.0
Redundancy	6.9
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.16 M ammonium citrate, 18% PEG 3350