6ZFA

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG, alpha-1,2-mannobiose 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)	0.97622
Spacegroup name	P 62
Unit cell lengths	127.891, 127.891, 48.352
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	110.757 - 1.800
Rwork	0.185
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zdk
RMSD bond length	0.017
RMSD bond angle	2.215
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]	110.760	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.148	0.939
Rmeas	0.153	0.969
Rpim	0.038	0.237
Number of reflections	42149	2447
<I/σ(I)>	13.4	2.9
Completeness [%]	100.0	100
Redundancy	16.5	16.6
CC(1/2)	0.999	0.782

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.