6Q50

Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.969
Spacegroup name	P 21 2 21
Unit cell lengths	53.366, 67.194, 96.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.280 - 1.600
R-factor	0.16241
Rwork	0.160
R-free	0.20006
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b4w
RMSD bond length	0.012
RMSD bond angle	1.742
Data reduction software	DIALS (1.8.1-g1afca60c-release-hotfix1)
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.190	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.104	1.853
Rmeas	0.111	1.985
Rpim	0.039	0.704
Number of reflections	46829	2286
<I/σ(I)>	10.2
Completeness [%]	100.0	100
Redundancy	8	8
CC(1/2)	0.998	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	100 mM PCTP pH 7.0, 25% w/v PEG 1500