7UVI

Pfs230 domain 1 bound by RUPA-55 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	I 2 2 2
Unit cell lengths	91.020, 100.780, 425.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 2.920
R-factor	0.219
Rwork	0.218
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohg
RMSD bond length	0.004
RMSD bond angle	0.929
Data reduction software	XPREP
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	3.030
High resolution limit [Å]	2.920	2.920
Rmerge	0.274	2.995
Rmeas	0.280	3.049
Rpim	0.054	0.571
Number of reflections	43033	4474
<I/σ(I)>	11.5	1.7
Completeness [%]	99.7
Redundancy	26.9
CC(1/2)	0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M CAPS pH 10.5, 0.8 M di-potassium hydrogen phosphate, 0.2 M lithium sulfate, 1.2 M sodium di-hydrogen phosphate