6H8X

Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 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	2018-03-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	38.160, 116.980, 53.110
Unit cell angles	90.00, 98.93, 90.00

Refinement procedure

Resolution	23.310 - 1.830
R-factor	0.18477
Rwork	0.183
R-free	0.22583
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.012
RMSD bond angle	1.537
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.400	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.100	1.258
Rmeas	0.108	1.355
Rpim	0.040	0.501
Number of reflections	39841	1922
<I/σ(I)>	11.6
Completeness [%]	98.5	97.8
Redundancy	7	7.2
CC(1/2)	0.999	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	Initial (open) crystals grown in: 24-32% PEG 4000 200 mM sodium acetate 50 mM TRIS pH 7.5 Crystals cryoprotected in original mother liquor plus: 25% ethylene glycol 15 mM sodium fluoride