4UA2

Crystal structure of dual function transcriptional regulator MerR from Bacillus megaterium MB1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-26
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.0, 0.97914, 0.95370
Spacegroup name	P 1 21 1
Unit cell lengths	80.542, 94.806, 87.060
Unit cell angles	90.00, 101.83, 90.00

Refinement procedure

Resolution	28.411 - 2.610
R-factor	0.2267
Rwork	0.225
R-free	0.25740
RMSD bond length	0.003
RMSD bond angle	0.670
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.610
Number of reflections	38508
<I/σ(I)>	24.3
Completeness [%]	99.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	sodium citrate, ammonium phosphate