3CJD

Crystal structure of putative TetR transcriptional regulator (YP_510936.1) from Jannaschia sp. CCS1 at 1.79 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	2008-01-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97961
Spacegroup name	P 1
Unit cell lengths	40.283, 46.044, 60.761
Unit cell angles	99.23, 100.39, 104.79

Refinement procedure

Resolution	29.801 - 1.790
R-factor	0.211
Rwork	0.209
R-free	0.24300
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.835
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.801	29.801	1.840
High resolution limit [Å]	1.790	8.010	1.790
Rmerge	0.078	0.044	0.755
Total number of observations		1578	4639
Number of reflections	32780
<I/σ(I)>	7.4	12.3	1
Completeness [%]	85.8	96.9	41.6
Redundancy	3.9	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.457M Ammonium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277K