7UVQ

Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs

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	P 62
Unit cell lengths	155.000, 155.000, 92.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.760 - 3.290
R-factor	0.2178
Rwork	0.215
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ohg
RMSD bond length	0.013
RMSD bond angle	1.631
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]	29.760	3.550
High resolution limit [Å]	3.290	3.290
Rmerge	0.147	1.565
Rmeas	0.152	1.613
Rpim	0.037	0.390
Number of reflections	19432	3974
<I/σ(I)>	14.5	2.2
Completeness [%]	99.9
Redundancy	16.7
CC(1/2)	0.999	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M di-ammonium hydrogen citrate, 17.5 %(w/v) polyethylene glycol 3350