3WIS

Crystal structure of Burkholderia xenovorans DmrB in complex with FMN: 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	183.840, 183.840, 183.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.920 - 1.901
R-factor	0.1626
Rwork	0.161
R-free	0.18780
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	1.108
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]	91.920	91.920	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.071	0.023	0.954
Rmeas		0.024	0.974
Number of reflections	21516	318	1555
<I/σ(I)>	36.23	95.48	5.04
Completeness [%]	99.9	99.4	99.6
Redundancy	24.9

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