2HYT

CRYSTAL STRUCTURE OF A TETR-FAMILY TRANSCRIPTIONAL REGULATOR (ECA1819) FROM PECTOBACTERIUM ATROSEPTICUM AT 1.64 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	2006-07-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000001
Spacegroup name	P 3 2 1
Unit cell lengths	82.858, 82.858, 56.054
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.126 - 1.640
R-factor	0.165
Rwork	0.163
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.355
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.126	28.040	1.680
High resolution limit [Å]	1.600	7.330	1.640
Rmerge	0.083	0.043	0.798
Total number of observations		2957	11400
Number of reflections	27542
<I/σ(I)>	6.1	12.3	1
Completeness [%]	100.0	97.8	99.9
Redundancy	8.3	8.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6.2	277	0.2M NH4F, 20.0% PEG-3350, No Buffer pH 6.2, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6.2	277	0.2M NH4F, 20.0% PEG-3350, No Buffer pH 6.2, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K