6HDJ

R49K variant of beta-phosphoglucomutase from Lactococcus lactis complexed aluminium tetrafluoride and beta-G6P to 1.2 A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	104.210, 37.220, 54.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.160
R-factor	0.14426
Rwork	0.143
R-free	0.16567
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wf6
RMSD bond length	0.010
RMSD bond angle	1.502
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]	48.100	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.084	1.082
Rmeas	0.090	1.180
Rpim	0.033	0.460
Number of reflections	70516	3226
<I/σ(I)>	11.2
Completeness [%]	95.4	88.5
Redundancy	7.3	6.2
CC(1/2)	0.999	0.554

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