3L09

Crystal structure of Putative transcriptional regulator (JANN_22DEC04_CONTIG27_REVISED_GENE3569) from Jannaschia sp. CCS1 at 2.81 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97939,0.91162,0.97925
Spacegroup name	P 21 21 21
Unit cell lengths	69.953, 81.722, 199.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.932 - 2.810
R-factor	0.202
Rwork	0.199
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.932	46.932	2.910
High resolution limit [Å]	2.810	6.000	2.810
Rmerge	0.124	0.046	0.757
Number of reflections	28370	3097	2581
<I/σ(I)>	8.29	17.9	2.3
Completeness [%]	98.5	97.5	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20.0000% polyethylene glycol 3350, 0.2500M lithium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K