3TGN

Crystal Structure of the zinc-dependent MarR Family Transcriptional Regulator AdcR in the Zn(II)-bound State

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-23
Detector	NOIR-1
Wavelength(s)	0.91840
Spacegroup name	P 21 21 21
Unit cell lengths	55.848, 57.621, 85.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.773 - 2.000
R-factor	0.1912
Rwork	0.185
R-free	0.24970
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.624
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (AutoSol)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge		0.046	0.287
Number of reflections	18718
Completeness [%]	97.0	92.3	99.7
Redundancy		5.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris-HCl, 18 % PEG 10000, 20 % glycerol, 0.1 M NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K