3PPB

Crystal structure of a putative tetR family transcription regulator (Shew_3104) from SHEWANELLA SP. PV-4 at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-22
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	57.762, 60.042, 107.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.919 - 2.100
R-factor	0.176
Rwork	0.174
R-free	0.20930
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.910
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.919	28.919	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge		0.047	0.821
Total number of observations		1165	8072
Number of reflections	22569
<I/σ(I)>	8	21.7	1.9
Completeness [%]	99.9	95.9	100
Redundancy	4.8	4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M NaCl, 30.0% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K