6H92

Phosphorylated beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 2.6 A

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	2015-10-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	38.410, 117.180, 52.980
Unit cell angles	90.00, 98.66, 90.00

Refinement procedure

Resolution	47.820 - 2.600
R-factor	0.23788
Rwork	0.233
R-free	0.31601
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.010
RMSD bond angle	1.447
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]	47.820	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.195	0.829
Rmeas	0.272	1.153
Rpim	0.142	0.584
Number of reflections	14087	1042
<I/σ(I)>	5
Completeness [%]	98.5	99.4
Redundancy	3.7	3.7
CC(1/2)	0.958	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	24-34% PEG 4000, 200 mM sodium acetate, 50 mM TRIS pH 7.5. Crystals were cryoprotected in their initial mother liquor plus an additional 25% ethylene glycol and 30 mM acetylphosphate.