7LL6

Crystal structure of fucose synthetase family protein from Brucella suis ATCC 23445

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	2014-11-12
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	75.650, 75.650, 112.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.640 - 2.250
R-factor	0.2099
Rwork	0.207
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e6u chain A as per MoRDa
RMSD bond length	0.006
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.194092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.069	0.052	0.628
Rmeas	0.074	0.057	0.670
Number of reflections	18199	233	1313
<I/σ(I)>	17.32	31.47	3.42
Completeness [%]	99.8	92.1	100
Redundancy	8.182	6.245	8.339
CC(1/2)	0.998	0.996	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	287	Microlytic MCSG1 screen: 3.5M sodium formate, 100mM sodium acetate / HCl pH 4.6: BrsuB.00085.a.B1.PS02124 at 20mg/ml + NADP: tray 257990 h6: cryo: direct: puck xbm5-2.