9IHU

GH57 family Amylopullulanase from Aquifex aeolicus

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	2023-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 2 1
Unit cell lengths	61.441, 40.918, 194.064
Unit cell angles	90.00, 95.91, 90.00

Refinement procedure

Resolution	38.606 - 1.790
R-factor	0.1923
Rwork	0.191
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.821
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	193.030	1.840
High resolution limit [Å]	1.790	1.790
Rmerge	0.153	0.713
Rmeas	0.168	0.795
Rpim	0.067	0.344
Total number of observations	565908	35343
Number of reflections	91529	6696
<I/σ(I)>	6.4	1.5
Completeness [%]	100.0
Redundancy	6.2	5.3
CC(1/2)	0.983	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		338	0.1M sodium citrate, pH 4.6, 20% PEG3350