5OK2

Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis inhibited with glucose 6-phosphate and tetrafluoroaluminate to 1.1A resolution.

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-F
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	37.540, 54.280, 104.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.390 - 1.100
R-factor	0.14901
Rwork	0.148
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wf5
RMSD bond length	0.010
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.280	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.070	1.147
Rpim	0.029	0.572
Number of reflections	87229	3941
<I/σ(I)>	12.5	1.2
Completeness [%]	99.5	91.6
Redundancy	6.8	4.7
CC(1/2)	0.999	0.484

Crystallization Conditions

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