3BPV

Crystal Structure of MarR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	43.442, 68.687, 92.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.330 - 1.400
R-factor	0.243
Rwork	0.243
R-free	0.26400
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	1.400
Number of reflections	26318
<I/σ(I)>	5
Completeness [%]	99.3
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	296	12% PEG 3350, 8% isopropanol, 0.1 M Na K tartrate, 0.1 M Na citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K