7M3K

Crystal Structure of Galactonate dehydratase from Brucella melitensis biovar Abortus 2308

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-27
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 62 2 2
Unit cell lengths	144.950, 144.950, 167.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.240 - 2.300
R-factor	0.1816
Rwork	0.180
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR-rosetta starting from PDB entry 5OYN
RMSD bond length	0.005
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.087	0.036	0.585
Rmeas	0.090	0.038	0.604
Number of reflections	46675	629	3385
<I/σ(I)>	19.95	40.6	4.2
Completeness [%]	99.9	96.9	100
Redundancy	14.887	11.782	15.476
CC(1/2)	0.999	0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	RigakuReagents JCSG+ screen, condition b10 200mM Magnesium chloride, 100mM sodium cacodylate pH 6.5, 20% (w/V) PEG 3350: BrabA.18180.a.B1.PS02071 at 27.12mg/ml: tray 256086 b10: cryo: direct: puck bvd7-1.