2GPE

Structure of the DNA-binding domain of E. Coli Proline Utilization A (PUTA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	173
Detector technology	CCD
Collection date	2006-03-09
Detector	CUSTOM-MADE
Wavelength(s)	1.2398
Spacegroup name	P 41 21 2
Unit cell lengths	55.731, 55.731, 125.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.900 - 1.900
Rwork	0.203
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ay0
RMSD bond length	0.009
RMSD bond angle	1.090
Data scaling software	d*TREK (9.4LDz)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.900	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.043	0.317
Total number of observations		13007
Number of reflections	16253	1549
<I/σ(I)>	25.5	5.7
Completeness [%]	100.0
Redundancy	13.03	8.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.05M AMMONIUM SULFATE, 0.05M BIS-TRIS, 30% PENTAERYTHRITOL ETHOXYLATE (15/4 EO/OH). N-TERMINAL HIS TAG REMOVED BY TREATMENT WITH TEV PROTEASE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K