6Y8Q

AbiEi antitoxin from Streptococcus agalactiae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	34.240, 80.850, 122.170
Unit cell angles	102.48, 96.74, 100.47

Refinement procedure

Resolution	42.100 - 1.830
R-factor	0.1827
Rwork	0.181
R-free	0.20950
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.098
Data reduction software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.110	1.860
High resolution limit [Å]	1.830	1.830
Number of reflections	106618	5213
<I/σ(I)>	10.7
Completeness [%]	97.4
Redundancy	1.94
CC(1/2)	0.999	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294.15	15% PEG 3350, 0.2 M Sodium acetate trihydrate, 0.1 M 1,3-bis(tris(hydroxymethyl)methylamino)propane