3U2R

Crystal structure of MarR transcription factor from Planctomyces limnophilus

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	2011-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 42 21 2
Unit cell lengths	64.970, 64.970, 87.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.480 - 2.200
R-factor	0.2062
Rwork	0.201
R-free	0.25330
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.150
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.619
Number of reflections	9939
<I/σ(I)>	13.4	2.8
Completeness [%]	99.0	100
Redundancy	5.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.64 M malonic acid, 0.0875 M monoammonium malate, 0.14 M sodium acetate, 0.175 M sodium formate, 0.056 M ammonium tartrate, pH 7.0, 0.1 M Bis-Tris propane:NaOH, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K