6PHY

SpAga D472N structure in complex alpha 1,3 galactobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-28
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	I 2 2 2
Unit cell lengths	90.958, 127.209, 152.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.820 - 2.000
R-factor	0.1754
Rwork	0.173
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4phu
RMSD bond length	0.006
RMSD bond angle	1.329
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.072	0.260
Rpim	0.034	0.186
Number of reflections	58794	3818
<I/σ(I)>	18.3	2.2
Completeness [%]	98.3	87.2
Redundancy	4.1	2.2
CC(1/2)	0.997	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	0.1 M sodium acetate:acetic acid, 0.7-1.0 M ammonium tartrate dibasic