7QQH

Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 1
Unit cell lengths	73.286, 79.099, 178.016
Unit cell angles	80.91, 79.11, 62.67

Refinement procedure

Resolution	64.530 - 2.250
Rwork	0.212
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f2h
RMSD bond length	0.004
RMSD bond angle	1.311
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.530	64.530	2.290
High resolution limit [Å]	2.250	12.320	2.250
Rmerge	0.073	0.019	0.800
Rmeas	0.103	0.026	1.131
Rpim	0.073	0.019	0.800
Number of reflections	161989	999	7923
<I/σ(I)>	7.9	31.7	1
Completeness [%]	98.2
Redundancy	3.1	3.6	3.1
CC(1/2)	0.990	0.985	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	100 mM HEPES 7.0, 10% PEG MME5000 and 5% tasimate pH7.0