6YDJ

P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with glucose 6-phosphate and trifluoromagnesate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	37.080, 54.250, 104.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.210 - 1.040
R-factor	0.1506
Rwork	0.150
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wf5
RMSD bond length	0.009
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.250	54.320	1.060
High resolution limit [Å]	1.040	2.820	1.040
Rmerge	0.067		1.138
Rmeas	0.073	0.036	1.295
Rpim	0.028	0.014	0.609
Number of reflections	101730	5462	5021
<I/σ(I)>	12.4	46.5	1.1
Completeness [%]	99.9	100	99.3
Redundancy	6.7	6.9	4.4
CC(1/2)	0.999	1.000	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	PEG 4000 (32% w/v), sodium acetate (200 mM), TRIS (100 mM), HEPES (13 mM), magnesium chloride (5 mM), EDTA (200 uM), sodium azide (500 uM), sodium fluoride (15 mM), glucose 6-phosphate (10 mM), beta-phosphoglucomutase (0.4 mM)