9T8Z

Room temperature X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	295
Detector technology	PIXEL
Collection date	2025-10-30
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.95372
Spacegroup name	C 1 2 1
Unit cell lengths	78.699, 35.409, 51.820
Unit cell angles	90.00, 122.60, 90.00

Refinement procedure

Resolution	31.230 - 1.690
R-factor	0.1683
Rwork	0.167
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.230	1.720
High resolution limit [Å]	1.690	1.690
Rpim	0.073	0.264
Number of reflections	13158	658
<I/σ(I)>	9.1	4.7
Completeness [%]	97.1
Redundancy	5.5	5.1
CC(1/2)	0.970	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS		278	50 % 2-methyl-2,4-pentanediol (MPD), 25 % isopropanol