5Y9S

Crystal structure of VV2_1132, a LysR family transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801, 1.0082
Spacegroup name	P 21 21 2
Unit cell lengths	113.669, 221.895, 57.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.769 - 2.199
R-factor	0.2048
Rwork	0.202
R-free	0.26360
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.955
Data scaling software	HKL-2000 (v712)
Phasing software	PHENIX ((1.11.1_2575))
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.199	2.200
Rmerge	0.061	2.500
Rpim	0.019	0.214
Number of reflections	70737
<I/σ(I)>	50.21
Completeness [%]	93.7	83.8
Redundancy	8.3	4.6
CC(1/2)	0.219

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287	0.1M imidazol (pH 7.6), 0.9M ammonium phosphate dibasic, 0.2M NaBr, 2mM TCEP