9VT3

SeMet crystal structure of Aca3 from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2021-08-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.670, 87.800, 132.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.100 - 2.090
R-factor	0.2019
Rwork	0.200
R-free	0.23530
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	2.165
High resolution limit [Å]	2.090	2.090
Number of reflections	28844	2824
<I/σ(I)>	18.15
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	24% (w/v) PEG 8000, 0.1M CHES pH 9.3