3VOE

Crystal Structure of wild type MarR (apo form) from E.coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Collection date	2011-06-29
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	61.960, 61.960, 131.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.600
R-factor	0.246
Rwork	0.241
R-free	0.29020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.525
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.068	35.828	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge		0.021	0.644
Rmeas		0.023	0.688
Rpim		0.009	0.239
Total number of observations		2115	9690
Number of reflections	8461
<I/σ(I)>	16.2	37.4	2.7
Completeness [%]	99.9	97.3	100
Redundancy	7.9	6.6	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.03M Citric Acid, 0.07M BIS-TRIS, pH7.6, 18-20% PEG 3350,0.3M NaCl, 10mM DTT, vapor diffusion, sitting drop, temperature 293K