4EPZ

Crystal structure of a transcription anti-terminator antagonist UpxZ (BACUNI_04315) from Bacteroides uniformis ATCC 8492 at 1.68 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-04
Detector	DECTRIS PILATUS 6M
Spacegroup name	C 2 2 21
Unit cell lengths	42.253, 81.110, 105.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.864 - 1.680
R-factor	0.1695
Rwork	0.168
R-free	0.19630
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.864	37.860	1.740
High resolution limit [Å]	1.680	3.610	1.680
Rmerge	0.065	0.040	0.678
Number of reflections	20732	2211	2038
<I/σ(I)>	11.8	25.5	2.35
Completeness [%]	97.9	97.1	98.1
Redundancy	4.29		4.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M calcium acetate, 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K