9KYP

GH57 family amylopullulanase from Aquifex aeolicus wild type complex with beta-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	40.830, 61.500, 195.540
Unit cell angles	84.04, 89.46, 89.09

Refinement procedure

Resolution	24.320 - 1.790
R-factor	0.1557
Rwork	0.154
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.038
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.830	1.840
High resolution limit [Å]	1.790	1.790
Rmerge	0.136	0.954
Rmeas	0.161	1.134
Rpim	0.086	0.607
Total number of observations	584041	41650
Number of reflections	169216	12393
<I/σ(I)>	7.5	1.6
Completeness [%]	94.9
Redundancy	3.5	3.4
CC(1/2)	0.992	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		338	0.1M Sodium citrate, pH 4.2, 20% PEG 3350