6ZJ5

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcDMJ 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	2019-03-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97949
Spacegroup name	P 62
Unit cell lengths	128.549, 128.549, 48.264
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	111.327 - 2.269
Rwork	0.188
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zfa
RMSD bond length	0.006
RMSD bond angle	1.531
Data reduction software	XDS
Data scaling software	STARANISO (1.0.4)
Phasing software	REFMAC (5.8.0258)
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.327	2.536
High resolution limit [Å]	2.269	2.269
Rmerge	0.276	1.520
Rmeas	0.295	1.617
Rpim	0.103	0.547
Number of reflections	11089	925
<I/σ(I)>	5.3
Completeness [%]	51.9	15.4
Redundancy	8	8.6
CC(1/2)	0.989	0.569

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.