9JLQ

Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus wild type apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	72.658, 166.730, 99.514
Unit cell angles	90.00, 110.31, 90.00

Refinement procedure

Resolution	93.330 - 2.540
R-factor	0.2002
Rwork	0.198
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.330	2.814
High resolution limit [Å]	2.540	2.540
Rmerge		1.470
Rpim		0.792
Number of reflections	45539	2275
<I/σ(I)>	3.7
Completeness [%]	88.4
Redundancy	4.2
CC(1/2)	0.905	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	40% MPD, 5% PEG2W, 0.1M MES 6.5