5TPM

2.8 Angstrom Crystal Structure of the C-terminal Dimerization Domain of Transcriptional Regulator PdhR from Escherichia coli.

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	2016-10-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	64.397, 95.347, 70.001
Unit cell angles	90.00, 114.09, 90.00

Refinement procedure

Resolution	29.390 - 2.800
R-factor	0.22377
Rwork	0.222
R-free	0.25674
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.469
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.094	0.750
Number of reflections	19376
<I/σ(I)>	32.6	2.7
Completeness [%]	100.0	100
Redundancy	8.6	8.4
CC(1/2)		0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Protein: 15.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.2M NH4Formate, 20% (w/v) PEG3350;Cryo: paratone.