6ZDK

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES 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 I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 62
Unit cell lengths	128.968, 128.968, 48.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.480 - 2.000
Rwork	0.196
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zdf
RMSD bond length	0.015
RMSD bond angle	1.963
Data reduction software	DIALS (1.8.3-g908a951f-release)
Data scaling software	Aimless (0.6.1)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.480	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.126	0.739
Rmeas	0.149	0.869
Rpim	0.078	0.450
Number of reflections	31607	2282
<I/σ(I)>	6.2	1.5
Completeness [%]	99.6	98.3
Redundancy	3.5	3.5
CC(1/2)	0.992	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	100 mM HEPES pH 7.5, 200 mM MgCl2, 30% v/v PEG 400 (Alfa Aesar), 1 mM Anderson-Evans polyoxotungstate TEW. Protein at 10 mg/ml in 25 mM HEPES pH 7.0, 200 mM NaCl buffer.