7EXJ

Crystal structure of alkaline alpha-galctosidase D383A mutant from Arabidopsis thaliana complexed with Raffinose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	92.603, 103.301, 181.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.470
R-factor	0.1935
Rwork	0.191
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7exg
RMSD bond length	0.013
RMSD bond angle	1.716
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.620
High resolution limit [Å]	2.470	7.220	2.470
Rmerge	0.061	0.037	0.501
Rmeas	0.074	0.044	0.601
Total number of observations	370410
Number of reflections	118862	4721	18783
<I/σ(I)>	10.56	25.36	1.78
Completeness [%]	98.5	97.9	96.6
Redundancy	3.116	3.205	3.255
CC(1/2)	0.997	0.997	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.8	291.5	Tris, PEG 2000, PGA