6ZDL

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG 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	2018-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 62
Unit cell lengths	127.864, 127.864, 48.809
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.970 - 1.900
Rwork	0.193
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zdk
RMSD bond length	0.017
RMSD bond angle	2.073
Data reduction software	DIALS (1.8.4-g04a6c08a-release)
Data scaling software	Aimless (0.6.2)
Phasing software	REFMAC (5.8.0189)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.970	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.203	3.430
Rmeas	0.209	3.534
Rpim	0.050	0.843
Number of reflections	36208	2322
<I/σ(I)>	10.5	1
Completeness [%]	100.0	99.8
Redundancy	17.6	17.4
CC(1/2)	0.998	0.546

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.