6ZA0

Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum (P21212 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	2018-03-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 2
Unit cell lengths	72.221, 145.607, 41.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.780 - 1.650
R-factor	0.17
Rwork	0.169
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z74
RMSD bond length	0.010
RMSD bond angle	0.950
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]	24.000	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.081
Number of reflections	51917	3674
<I/σ(I)>	10.7
Completeness [%]	97.9
Redundancy	4.6
CC(1/2)	0.999	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	PEG 4000, AS, Na-citrate