6Z8L

Alpha-Amylase in complex with probe fragments

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	51.873, 73.729, 135.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.431 - 1.400
R-factor	0.142619864525
Rwork	0.142
R-free	0.15423
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u3a
RMSD bond length	0.012
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.431	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.043	0.616
Rmeas	0.047	0.672
Rpim	0.019	0.265
Number of reflections	102541	14829
<I/σ(I)>	17.8	2.9
Completeness [%]	99.8
Redundancy	6.3
CC(1/2)	0.999	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	60 % MPD