7UVO

Pfs230 domain 1 bound by RUPA-38 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	2021-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033192
Spacegroup name	C 1 2 1
Unit cell lengths	163.710, 42.850, 95.300
Unit cell angles	90.00, 102.49, 90.00

Refinement procedure

Resolution	29.060 - 2.090
R-factor	0.2178
Rwork	0.217
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohg
RMSD bond length	0.007
RMSD bond angle	1.001
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]	29.060	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.218	1.407
Rmeas	0.232	1.523
Rpim	0.064	0.482
Number of reflections	38731	3171
<I/σ(I)>	7.7	1.6
Completeness [%]	99.8
Redundancy	12
CC(1/2)	0.995	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	19% v/v isopropanol, 20% w/v PEG 4000, 0.1 M sodium citrate ph 6.5