4XK4

E. coli transcriptional regulator RUTR with dihydrouracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	50.892, 55.672, 85.242
Unit cell angles	88.37, 88.80, 62.37

Refinement procedure

Resolution	50.010 - 2.270
R-factor	0.19566
Rwork	0.194
R-free	0.22539
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jyk
RMSD bond length	0.010
RMSD bond angle	1.354
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.310
High resolution limit [Å]	2.270	2.270
Rmerge	0.056	0.550
Number of reflections	37742
<I/σ(I)>	14.6	1.67
Completeness [%]	97.5	91
Redundancy	2.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	200 nl of 10 mg/ml protein in 10 mM HEPES pH 7.5, 500 mM NaCl, 5 mM dihydrouracil was mixed with 200 nl 50 mM Ammonium Slufate, 50 mM BIS-TRIS, pH 6.5, 30% (v/v) Pentaerythirtol ethoxylate and suspended over a reservoir of 1.5M NaCl