5E1Q

Mutant (D415G) GH97 alpha-galactosidase in complex with Gal-Lac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	60.620, 100.624, 237.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.441 - 1.943
R-factor	0.186
Rwork	0.185
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a24
RMSD bond length	0.008
RMSD bond angle	1.079
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.100		2.060
High resolution limit [Å]	1.940	5.790	1.940
Rmerge	0.083	0.021	0.990
Rmeas	0.089	0.023	1.076
Total number of observations	780735
Number of reflections	106969	4383	16428
<I/σ(I)>	18.4	64.74	2.31
Completeness [%]	99.2	99.4	95.5
Redundancy	7.3		7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	288	12% PEG 6000, 0.1 M MES-NaOH (pH 6.2), 3.9 mM beta-lactosyl alpha-d-galactopyranoside