4UA1

Crystal structure of dual function transcriptional regulator MerR form Bacillus megaterium MB1 in complex with mercury (II) ion

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9922, 0.9792, 0.9610
Spacegroup name	P 2 2 2
Unit cell lengths	70.005, 70.556, 71.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.130 - 2.560
R-factor	0.2316
Rwork	0.226
R-free	0.28700
RMSD bond length	0.011
RMSD bond angle	1.672
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	25.130
High resolution limit [Å]	2.560
Number of reflections	11808
<I/σ(I)>	19.5
Completeness [%]	99.9
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	di-Ammonium hydrogen citrate, PEG3350