4IZZ

Crystal Structure of Fischerella Transcription Factor HetR complexed with 21mer DNA target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97910
Spacegroup name	P 31
Unit cell lengths	92.425, 92.425, 96.366
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.786 - 2.502
R-factor	0.185
Rwork	0.182
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qod
RMSD bond length	0.003
RMSD bond angle	0.686
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	31681
<I/σ(I)>	15.4	1.9
Completeness [%]	99.7	99.4
Redundancy	4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	24 % Polyvinylpyrrolidone, 50 mM Hepes pH 8.0, 100 mM sodium chloride, 10 mM magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K