7UCQ

Pfs230 D1 domain in complex with 230AS-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	75.220, 145.730, 78.270
Unit cell angles	90.00, 90.92, 90.00

Refinement procedure

Resolution	41.270 - 2.500
R-factor	0.2058
Rwork	0.204
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.005
RMSD bond angle	0.758
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]	41.270	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	57254	3779
<I/σ(I)>	8.21
Completeness [%]	97.7
Redundancy	3.4
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M sodium acetate, pH 4.6, 20% PEG 10000