8X3U

tll1591 with alpha_glucan 3sugar

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	2023-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 65
Unit cell lengths	156.135, 156.135, 187.561
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.580
R-factor	0.2777
Rwork	0.277
R-free	0.30390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.848
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.630
High resolution limit [Å]	2.580	2.580
Rmerge	0.091	1.020
Number of reflections	80733	4647
<I/σ(I)>	18
Completeness [%]	99.3
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG