4MWG

Crystal structure of Burkholderia xenovorans DmrB apo form: A Cubic Protein Cage for Redox Transfer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	F 4 3 2
Unit cell lengths	184.180, 184.180, 184.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.117 - 2.200
R-factor	0.1874
Rwork	0.186
R-free	0.21780
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX (dev_1457)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.200	65.146	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.042	0.017	0.598
Rmeas		0.018	0.612
Number of reflections	14076	211	981
<I/σ(I)>	57.17	142.89	7.72
Completeness [%]	99.5	97.2	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.0M (NH4)2SO4, 20mM Tris HCl pH 8, 100mM NaCl, 5% glycerol, 4mM DTT, vapor diffusion, hanging drop, temperature 298K