7UVS

Pfs230 domain 1 bound by LMIV230-02 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	2021-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	C 1 2 1
Unit cell lengths	92.360, 132.470, 125.070
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	29.850 - 2.060
R-factor	0.1752
Rwork	0.174
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohg
RMSD bond length	0.008
RMSD bond angle	1.042
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]	29.850	2.060
High resolution limit [Å]	2.030	2.030
Rmerge	0.129	1.224
Rmeas	0.139	1.343
Rpim	0.052	0.542
Number of reflections	93278	4062
<I/σ(I)>	9.5	1.5
Completeness [%]	98.6
Redundancy	7
CC(1/2)	0.997	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.3 M di-ammonium hydrogen citrate, 15 %(w/v) polyethylene glycol 3350