9U5L

4-alpha-glucanotransferase from Thermus thermophilus STB20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	197.783, 41.391, 58.458
Unit cell angles	90.00, 98.26, 90.00

Refinement procedure

Resolution	40.500 - 2.100
R-factor	0.26675
Rwork	0.264
R-free	0.31558
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.500	8.910
High resolution limit [Å]	2.100	2.100
Rmerge	0.120
Rmeas		0.136
Number of reflections	27285	27285
<I/σ(I)>	8.9
Completeness [%]	98.3
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293.15	0.1M Bis-Tris pH 5.5, 35% PEG 3350