7UI1

Pfs230 D1D2 domain in complex with 230AL-37

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	2021-02-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	49.580, 155.140, 375.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 3.300
R-factor	0.2657
Rwork	0.264
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.003
RMSD bond angle	0.588
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]	19.890	3.390
High resolution limit [Å]	3.300	3.300
Number of reflections	44493	3161
<I/σ(I)>	5.54
Completeness [%]	98.7
Redundancy	7.2
CC(1/2)	0.980	0.450

Crystallization Conditions

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