5H20

X-ray structure of PadR-like Transcription factor from bacteroid fragilis

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)
Detector technology	CCD
Collection date	2015-12-17
Detector	ADSC QUANTUM 1
Wavelength(s)	1.00002
Spacegroup name	P 32 2 1
Unit cell lengths	72.890, 72.890, 84.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.2648
Rwork	0.264
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ejo
RMSD bond length	0.009
RMSD bond angle	1.483
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.510	2.440
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.063	0.043	0.392
Number of reflections	10398
<I/σ(I)>	13.4
Completeness [%]	98.9	98.2	99.8
Redundancy	3.9	3.7	3.9
CC(1/2)		0.993	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.5 M Ammonium sulfate, 4 % Isopropanol