6ZJ1

Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW

This is a non-PDB format compatible entry.

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	2019-03-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95004
Spacegroup name	P 62
Unit cell lengths	129.414, 129.414, 50.201
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.707 - 1.957
Rwork	0.184
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zfa
RMSD bond length	0.009
RMSD bond angle	1.760
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC (5.8.0258)
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.076	2.155
High resolution limit [Å]	1.957	1.957
Rmerge	0.093	1.448
Rmeas	0.098	1.522
Rpim	0.029	0.463
Number of reflections	17490	1026
<I/σ(I)>	15.7	1.6
Completeness [%]	50.1	11.9
Redundancy	11.7	10.5
CC(1/2)	0.999	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	100 mM HEPES pH 7.5 - 8.1, 200 mM MgCl2, 25-27.5% v/v PEG 400, 1 mM TEW Protein in 25 mM HEPES pH 7.0, 200 mM NaCl buffer at 10 mg/ml.