8PVT

Manganese-dependent transcriptional repressor DR2539 complexed with cadmium (SAD 7 keV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.771200
Spacegroup name	P 43 21 2
Unit cell lengths	60.846, 60.846, 187.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 2.500
R-factor	0.2075
Rwork	0.205
R-free	0.25500
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.706
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.600	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	12916	1752
<I/σ(I)>	14.3
Completeness [%]	99.4
Redundancy	23.2
CC(1/2)	0.998	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Hepes pH 7.0; 1.2 M sodium acetate; 0.05 M Cadmium sulphate