6AG0

The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978910
Spacegroup name	P 1 21 1
Unit cell lengths	75.870, 81.820, 88.780
Unit cell angles	90.00, 105.85, 90.00

Refinement procedure

Resolution	42.189 - 2.200
R-factor	0.1701
Rwork	0.167
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kvx
RMSD bond length	0.007
RMSD bond angle	1.093
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.189	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.145	1.039
Rmeas	0.158	1.132
Rpim	0.061	0.445
Number of reflections	53147	5332
<I/σ(I)>	10.9	1.99
Completeness [%]	99.8	99.79
Redundancy	6.6	6.4
CC(1/2)	0.997	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	60% MPD,150 mM NaCl, 1 mM CaCl2