3E97

Crystal structure of transcriptional regulator of Crp/Fnr family (YP_604437.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 1.86 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929
Spacegroup name	P 41 21 2
Unit cell lengths	68.000, 68.000, 111.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.399 - 1.860
R-factor	0.21
Rwork	0.208
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.458
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.399	29.399	1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.067	0.034	0.631
Number of reflections	22704	4229	4376
<I/σ(I)>	17.84	50.5	2.43
Completeness [%]	99.8	99.7	99.6
Redundancy	11.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	0.2000M KAcetate, 20.0000% PEG-3350, No Buffer pH 7.8, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP