6Q4Z

Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose

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	2018-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	55.389, 98.115, 105.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.890 - 1.550
R-factor	0.12992
Rwork	0.127
R-free	0.18941
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q4y
RMSD bond length	0.009
RMSD bond angle	1.555
Data reduction software	DIALS (1.11.2-g01fb9e997-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]	71.890	1.580
High resolution limit [Å]	1.500	1.550
Rmerge	0.101	1.260
Rmeas	0.109	1.368
Rpim	0.039	0.522
Number of reflections	92517	4023
<I/σ(I)>	8.1	1.4
Completeness [%]	99.8	97.5
Redundancy	7.6	6.8
CC(1/2)	0.996	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	200 mM triammonium citrate pH 7.0, 18-22% PEG 3350