6YDK

Substrate-free P146A variant of beta-phosphoglucomutase from Lactococcus lactis

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	2018-02-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	53.300, 56.240, 77.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.950 - 2.020
R-factor	0.2174
Rwork	0.216
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.011
RMSD bond angle	1.489
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.950	43.960	2.050
High resolution limit [Å]	2.020	5.480	2.020
Rmerge	0.075		0.953
Rmeas	0.081	0.032	1.090
Rpim	0.031	0.012	0.506
Number of reflections	15683	895	686
<I/σ(I)>	14.4	41.9	1.2
Completeness [%]	98.8	100	88.9
Redundancy	6.6	6.4	3.7
CC(1/2)	0.999	1.000	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	PEG 4000 (24% w/v), sodium acetate (200 mM), TRIS (100 mM), HEPES (50 mM), magnesium chloride (5 mM), EDTA (1 mM), sodium azide (2 mM), beta-phosphoglucomutase (0.5 mM). Seeded with 10,000x dilution of much smaller protein crystals grown under the same conditions but with 0.2 mM beta-phosphoglucomutase.