9I1M

Structure of AauA, a sugar-binding protein with its substrate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.96860
Spacegroup name	C 1 2 1
Unit cell lengths	76.380, 66.940, 57.850
Unit cell angles	90.00, 94.45, 90.00

Refinement procedure

Resolution	38.900 - 1.350
R-factor	0.1272
Rwork	0.126
R-free	0.14350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.022
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.028
Number of reflections	50386	574
<I/σ(I)>	29.8	7.5
Completeness [%]	79.1	18.2
Redundancy	6.2	3.2
CC(1/2)	1.000	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 8000