6ZA7

Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum

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	2016-03-19
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	52.110, 79.010, 140.610
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	43.380 - 2.340
R-factor	0.196
Rwork	0.194
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z74
RMSD bond length	0.009
RMSD bond angle	1.020
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]	43.380	2.410
High resolution limit [Å]	2.340	2.340
Rmerge	0.109
Number of reflections	47646	3255
<I/σ(I)>	13
Completeness [%]	99.4
Redundancy	10.5
CC(1/2)	0.999	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	PEG 4000, AS, Tris-HCl