6ZDC

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with nickel

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	2017-01-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 2 21 21
Unit cell lengths	38.467, 86.535, 135.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.103 - 2.251
Rwork	0.177
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m17
RMSD bond length	0.015
RMSD bond angle	1.889
Data reduction software	DIALS (1.4.1-gba385ba-release)
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.920	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.200	1.872
Rmeas	0.210	2.029
Rpim	0.061	0.750
Number of reflections	21876	1648
<I/σ(I)>	7	0.9
Completeness [%]	98.1	84.5
Redundancy	11.4	6.9
CC(1/2)	0.994	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	100 mM MIB buffer, pH 6.0. Protein at 5.5 mg/ml in 50 mM potassium phosphate, 50 mM KCl. 150 nl protein solution and 150 nl reservoir solution.