6Q4W

Structure of MPT-1, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	46.478, 48.116, 73.887
Unit cell angles	94.48, 96.92, 110.29

Refinement procedure

Resolution	72.740 - 1.550
R-factor	0.15258
Rwork	0.149
R-free	0.21339
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q4y
RMSD bond length	0.014
RMSD bond angle	1.767
Data reduction software	DIALS (1.8.6-gc63d8697-release)
Data scaling software	Aimless (0.7.1 : 27/03/18)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.740	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.090	0.357
Rmeas	0.119	0.470
Rpim	0.076	0.304
Number of reflections	80753	3818
<I/σ(I)>	4.5
Completeness [%]	94.5	90.8
Redundancy	2.1	1.9
CC(1/2)	0.970	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	12% w/v PEG 20K, 100 mM MES pH 6.5