7UVH

Pfs230 domain 1 bound by RUPA-32 Fab

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	2021-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033190
Spacegroup name	C 1 2 1
Unit cell lengths	154.870, 80.470, 124.960
Unit cell angles	90.00, 111.81, 90.00

Refinement procedure

Resolution	29.430 - 2.590
R-factor	0.1975
Rwork	0.196
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohg
RMSD bond length	0.011
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	2.690
High resolution limit [Å]	2.590	2.590
Rmerge	0.211	1.718
Rmeas	0.226	1.833
Rpim	0.065	0.523
Number of reflections	44577	4638
<I/σ(I)>	9.5	1.7
Completeness [%]	99.9	100
Redundancy	12.1	12.3
CC(1/2)	0.995	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Ammonium Sulfate, 30 % (w/v) PEG 8000, 15% ethylene glycol