7NSN

Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	94.605, 151.937, 114.007
Unit cell angles	90.00, 94.63, 90.00

Refinement procedure

Resolution	47.923 - 2.290
Rwork	0.205
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wzs
RMSD bond length	0.008
RMSD bond angle	1.533
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.923	47.920	2.330
High resolution limit [Å]	2.290	12.540	2.290
Rmerge	0.132	0.046	0.777
Rmeas	0.186	0.064	1.090
Rpim	0.131	0.046	0.763
Number of reflections	141182	865	7109
<I/σ(I)>	5.1	15.5	1.1
Completeness [%]	98.1	93.9	99.5
Redundancy	2.9	3.2	3
CC(1/2)	0.981	0.993	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	21% PEG 3350, 0.1 M bis-Tris-propane pH 6.6, 0.2M sodium citrate, MMS