6MLH

Crystal structure of X. citri phosphoglucomutase in complex with GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-01-31
Detector	RDI CMOS_8M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	43.571, 54.715, 172.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.220 - 1.650
R-factor	0.1737
Rwork	0.172
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.560	1.680
High resolution limit [Å]	1.650	1.650
Rmerge		0.467
Number of reflections	50819	2496
<I/σ(I)>	12.2
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 8000, 0.2 M MgCl2, 0.1 M Hepes, pH 7.5