6ZA3

Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (C2221 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	62.446, 112.402, 179.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.070 - 2.050
R-factor	0.194
Rwork	0.193
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z74
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.070	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.086
Number of reflections	43067	3095
<I/σ(I)>	13.7
Completeness [%]	97.7
Redundancy	8.7
CC(1/2)	0.999	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	292	PEG 400, MES, Na-acetate