6F2C

Methylglyoxal synthase MgsA from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.77318
Spacegroup name	P 21 21 21
Unit cell lengths	108.930, 109.710, 199.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.993 - 2.340
R-factor	0.1725
Rwork	0.171
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xw6
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.993	50.000	2.423
High resolution limit [Å]	2.339	48.993	2.339
Rmerge	0.054		0.658
Rmeas	0.061
Number of reflections	101094		10027
<I/σ(I)>	18.23		2.41
Completeness [%]	99.4		99.72
Redundancy	4.728		4.788
CC(1/2)	0.999		0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.1 M bicine/Trizma base pH 8.5, 10% w/v PEG 4000, 20% w/v glycerol 30 mM of (0.3 M magnesium chloride, 0.3 M calcium chloride)