8PVZ

Manganese-dependent transcriptional repressor DR2539 complexed with cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979330
Spacegroup name	P 43 21 2
Unit cell lengths	60.785, 60.785, 187.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 2.000
R-factor	0.1873
Rwork	0.186
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.185
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	24727	3534
<I/σ(I)>	11.4
Completeness [%]	99.8
Redundancy	5.5
CC(1/2)	0.998	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	3% 6-Aminohexanoic acid; 0.1M Hepes pH 7.0; 1.2 M sodium acetate; 0.05M Cadmium sulphate