6YDM

beta-phosphoglucomutase from Lactococcus lactis with citrate, tris and acetate bound

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	2018-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97179
Spacegroup name	P 21 21 21
Unit cell lengths	53.130, 76.640, 117.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.610 - 2.100
Rwork	0.230
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.009
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.300	46.570	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge		0.029	0.536
Rmeas	0.098	0.045	0.574
Rpim	0.033	0.011	0.198
Number of reflections	27995	3349	2095
<I/σ(I)>	13.7	30.5	3.7
Completeness [%]	97.5	98.4	90.1
Redundancy	8.6	7.5	7.6
CC(1/2)	0.999	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	PEG 4000, sodium acetate (200 mM), TRIS (100 mM), HEPES (50 mM), magnesium chloride (5 mM), EDTA (1 mM), sodium azide (2 mM), trisodium citrate (50 mM), beta-phosphoglucomutase (0.6 mM)