7QQG

Crystal structure of MYORG bound to 1-deoxygalactonojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	73.113, 78.882, 176.221
Unit cell angles	80.78, 80.21, 62.64

Refinement procedure

Resolution	69.750 - 2.430
Rwork	0.224
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f2h
RMSD bond length	0.006
RMSD bond angle	1.428
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]	69.750	69.750	2.470
High resolution limit [Å]	2.430	13.310	2.430
Rmerge	0.073	0.023	0.724
Rmeas	0.103	0.032	1.024
Rpim	0.073	0.023	0.724
Number of reflections	127078	776	6328
<I/σ(I)>	8.4	24.4	1.4
Completeness [%]	98.3
Redundancy	3.5	3.6	3.7
CC(1/2)	0.995	0.998	0.555

Crystallization Conditions

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