3BPX

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
Spacegroup name	P 21 21 21
Unit cell lengths	40.109, 51.527, 139.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.290 - 1.950
R-factor	0.222
Rwork	0.222
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bpv
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.950
Number of reflections	19316
<I/σ(I)>	15
Completeness [%]	91.2
Redundancy	5

Crystallization Conditions

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