6HDG

D170N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with beta-G1P in a closed conformer to 1.2 A.

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	2017-04-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	37.560, 55.080, 105.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 1.150
R-factor	0.1516
Rwork	0.150
R-free	0.17623
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wf5
RMSD bond length	0.013
RMSD bond angle	1.494
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.126	1.986
Rmeas	0.132	2.087
Rpim	0.037	0.634
Number of reflections	78880	3894
<I/σ(I)>	10.8	1.2
Completeness [%]	100.0	100
Redundancy	12.6	10.6
CC(1/2)	0.999	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	24-34% PEG 4000 200mM sodium acetate 50mM TRIS pH 7.5