7FE2

Crystal structure of the mutant E494Q of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with alpha-1,2-mannobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	162.626, 168.610, 260.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.566 - 1.750
Rwork	0.169
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dwo
RMSD bond length	0.010
RMSD bond angle	1.612
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.141	1.254
Rmeas	0.147	1.305
Rpim	0.040	0.361
Number of reflections	354371	51164
<I/σ(I)>	12.2	2.1
Completeness [%]	99.6	99.1
Redundancy	13.3	12.8
CC(1/2)	0.998	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium citrate, pH 5.0-5.6, 100 mM magnesium acetate, 200 mM ammonium sulfate, 5% PEG 20000