6H8W

Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with aluminium tetrafluoride to 1.9 A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	53.440, 53.710, 80.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.440 - 1.980
R-factor	0.20666
Rwork	0.205
R-free	0.24806
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.013
RMSD bond angle	1.483
Data reduction software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.440	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.116	0.738
Rmeas	0.156	0.969
Rpim	0.075	0.459
Number of reflections	19779	1193
<I/σ(I)>	9.5
Completeness [%]	99.8	99.9
Redundancy	4.3	4.3
CC(1/2)	0.992	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	Crystals initially grown as open beta-phosphoglucomutase crystals, using 24-32% PEG 4000, 200mM sodium acetate, 50 mM TRIS buffer pH 7.5. Crystals were cryoprotected in their original mother liquor with the addition of 25% ethylene glycol, 5 mM aluminium chloride and 20 mM sodium fluoride.