6MPA

Crystal structure of BlMan5B in complex with GlcNAc (soaking)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	69.893, 101.378, 173.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.733 - 1.900
R-factor	0.1789
Rwork	0.178
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.733	43.733	2.010
High resolution limit [Å]	1.900	5.670	1.900
Rmerge	0.124	0.035	1.607
Rmeas	0.135	0.038	1.757
Number of reflections	97455	3936	15529
<I/σ(I)>	11.13	43.92	1.08
Completeness [%]	99.9	99.4	99.7
Redundancy	6.394	6.482	6.132
CC(1/2)	0.998	0.999	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273.15	100 mM sodium citrate pH 4.5 and 12-16% PEG 3000