3DV8

Crystal structure of a putative transcriptional regulator of the crp/fnr family (eubrec_1222) from eubacterium rectale atcc 33656 at 2.55 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	CCD
Collection date	2008-06-15
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	I 2 2 2
Unit cell lengths	45.560, 88.482, 181.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.237 - 2.550
R-factor	0.224
Rwork	0.222
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.237	44.237	2.640
High resolution limit [Å]	2.550	5.460	2.550
Rmerge	0.123	0.067	0.728
Number of reflections	12310	1348	1136
<I/σ(I)>	7.24	13.6	1.9
Completeness [%]	99.3	98.5	95.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.14	293	5.0% polyethylene glycol 8000, 20.0% polyethylene glycol 300, 10.0% Glycerol, 0.1M TRIS pH 8.14, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K