3B81

Crystal structure of predicted DNA-binding transcriptional regulator of TetR/AcrR family (NP_350189.1) from Clostridium acetobutylicum at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9798, 0.9537, 0.9796
Spacegroup name	P 42 21 2
Unit cell lengths	89.967, 89.967, 70.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.988 - 2.100
R-factor	0.204
Rwork	0.203
R-free	0.23400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.514
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]	29.988	29.988	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.089	0.027	0.983
Total number of observations		1322	8668
Number of reflections	17429
<I/σ(I)>	6	23.2	0.7
Completeness [%]	100.0	97.1	100
Redundancy	6.5	5.4	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 25.0% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K