6ZDF

Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES

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	2017-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	144.245, 144.245, 139.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.205 - 3.000
Rwork	0.215
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zdc
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	DIALS (1.8.2-g5331de77-release)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.205	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.582	1.175
Rmeas	0.611	1.205
Rpim	0.135	0.265
Number of reflections	30161	4300
<I/σ(I)>	5	2.9
Completeness [%]	100.0	99.8
Redundancy	20.3	20.5
CC(1/2)	0.974	0.253

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1 M sodium succinate pH 7.0, 1% w/v PEG-MME2000 Protein at 10 mg/ml in buffer: 25 mM HEPES pH 7.0, 200 mM NaCl 100 nl protein solution and 200 nl reservoir solution.