9S8Y

Amuc1074_S1_11 in complex with N-acetyl D-glucosamine

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	2021-07-14
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	130.010, 130.010, 86.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.147 - 1.380
Rwork	0.167
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.898
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.880	1.400
High resolution limit [Å]	1.380	1.380
Number of reflections	146947	7245
<I/σ(I)>	10.7
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.998	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Morpheus E9: 30 % Precipitant mix 1 (40% v/v PEG 500* MME; 20 % w/v PEG 20000) 0.1 M Buffer system 3 pH 8.5 (Tris (base); BICINE) 0.12 M Ethylene glycols (0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol) 20 mg/ml Amuc1074 with 100 mM N-acetyl D-glucosamine