6H8Z

T16A variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.6 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	2017-05-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	47.267, 53.887, 82.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 1.600
R-factor	0.23861
Rwork	0.236
R-free	0.28368
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.012
RMSD bond angle	1.531
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]	45.080	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.067	1.715
Rmeas	0.072	1.857
Rpim	0.027	0.703
Number of reflections	28426	1409
<I/σ(I)>	10.8
Completeness [%]	100.0	99.4
Redundancy	6.9	6.7
CC(1/2)	0.999	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	24-34% PEG4000, 200 mM sodium acetate, 50 mM TRIS pH 7.5