6N1E

Crystal structure of X. citri phosphoglucomutase in complex with 1-methyl-glucose 6-phosphate

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	2018-03-15
Detector	RDI CMOS_8M
Wavelength(s)	1.00011
Spacegroup name	P 21 21 21
Unit cell lengths	43.705, 54.745, 172.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.980 - 1.700
R-factor	0.1654
Rwork	0.164
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kl0
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.220	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.066	1.191
Rmeas	0.072	1.288
Rpim	0.027	0.486
Number of reflections	46460	2437
<I/σ(I)>	19.5	1.5
Completeness [%]	99.7	100
Redundancy	6.9	6.9
CC(1/2)	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	22% PEG 8000, 0.2 M MgCl2, 0.1 M HEPES, pH 7.5