6Q4Y

Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	55.237, 97.138, 105.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.580 - 1.700
R-factor	0.17625
Rwork	0.174
R-free	0.21279
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q50
RMSD bond length	0.010
RMSD bond angle	1.554
Data reduction software	DIALS (1.8.2-g5331de77-release)
Data scaling software	Aimless (0.7.3)
Phasing software	REFMAC (5.8.0238)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.580	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.091	0.943
Rmeas	0.091	1.009
Rpim	0.091	0.353
Number of reflections	63306	3333
<I/σ(I)>	9.7	1.7
Completeness [%]	100.0	100
Redundancy	7.7	7.8
CC(1/2)	0.999	0.379

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	200 mM trisodium citrate, 18-22% w/v PEG 3350