7EXR

Crystal structure of alkaline alpha-galactosidase D383A mutant from Arabidopsis thaliana complexed with Stachyose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	110
Detector technology	CCD
Collection date	2018-03-28
Detector	RAYONIX MX300HE
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	97.589, 103.749, 182.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1692
Rwork	0.167
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7exg
RMSD bond length	0.018
RMSD bond angle	2.010
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.093	0.064	0.597
Rmeas	0.101	0.071	0.660
Rpim	0.040	0.029	0.277
Total number of observations	785125
Number of reflections	124558	12950	12278
<I/σ(I)>	7.2
Completeness [%]	99.9	99.8	99.5
Redundancy	6.3	6	5.4
CC(1/2)		0.995	0.855

Crystallization Conditions

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