9UBS

The structure of the AglA_T220R-Arg complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	47.974, 72.394, 75.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.200 - 1.490
R-factor	0.1667
Rwork	0.166
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	1.530
High resolution limit [Å]	1.490	1.490
Number of reflections	80111	5532
<I/σ(I)>	19.29
Completeness [%]	96.8
Redundancy	7
CC(1/2)	0.999	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.05 M Magnesium Chloride Hexahydrate, 0.1 M HEPES (pH 7.5) and 30% PEG 550 MME