6PHW

SpAga D472N structure in complex with melibiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-29
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	I 2 2 2
Unit cell lengths	90.909, 127.193, 151.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.750 - 2.200
R-factor	0.1762
Rwork	0.173
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4phu
RMSD bond length	0.006
RMSD bond angle	1.404
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.134	0.346
Rpim	0.069	0.184
Number of reflections	44415	3732
<I/σ(I)>	10.6	3.5
Completeness [%]	99.4	99.8
Redundancy	4.5	4.2
CC(1/2)	0.991	0.881

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