6ABQ

Crystal structure of transcription factor from Listeria monocytogenes

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]	173
Detector technology	CCD
Collection date	2016-12-18
Detector	ADSC QUANTUM 1
Wavelength(s)	1.0003
Spacegroup name	P 32 2 1
Unit cell lengths	73.955, 73.955, 66.313
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.2072
Rwork	0.205
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4esf
RMSD bond length	0.009
RMSD bond angle	1.314
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.045	0.041	0.075
Rmeas	0.049	0.046	0.081
Rpim	0.018	0.019	0.030
Number of reflections	9616	509	458
<I/σ(I)>	22.4
Completeness [%]	99.7	95	100
Redundancy	7.1	5.8	7.3
CC(1/2)		0.997	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1 M lithium chloride, 0.1 M citric acid, pH 5.5, and 30% polyethylene glycol 6000