6RQK

Crystal structure of GH125 1,6-alpha-mannosidase from Clostridium perfringens in complex with mannoimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	55.479, 43.048, 169.616
Unit cell angles	90.00, 91.64, 90.00

Refinement procedure

Resolution	56.580 - 1.850
R-factor	0.19828
Rwork	0.196
R-free	0.23917
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m7i
RMSD bond length	0.007
RMSD bond angle	1.481
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.770	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.185
Rmeas	0.201
Number of reflections	68889	4201
<I/σ(I)>	8.8	1.8
Completeness [%]	99.7	99.9
Redundancy	6.6	6.6
CC(1/2)	0.994	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.2 M MgCl2, 0.1 M HEPES pH 7.0 and 24% PEG 3350