6B9P

Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.92019
Spacegroup name	P 21 21 21
Unit cell lengths	67.274, 119.761, 277.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.258 - 1.996
R-factor	0.1804
Rwork	0.178
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o7d
RMSD bond length	0.009
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.120
High resolution limit [Å]	1.996	1.996
Rmeas	0.167
Number of reflections	291174	45423
<I/σ(I)>	10.8
Completeness [%]	99.0	95.5
Redundancy	7.03	7.03
CC(1/2)	0.788	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M Potassium Sodium tartrate, 10% PEG 1500