5Z7B

Crystal structure of the VanR transcription factor in complex with vanillate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-06
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	34.771, 62.397, 183.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.18281
Rwork	0.181
R-free	0.22354
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.314
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.146	0.502
Number of reflections	24186	1179
<I/σ(I)>	23.9	6.2
Completeness [%]	99.7
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	calcium acetate, PEG 8000, sodium cacodylate