2PJU

Crystal structure of propionate catabolism operon regulatory protein prpR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	35.657, 58.545, 103.576
Unit cell angles	85.03, 88.56, 86.94

Refinement procedure

Resolution	37.060 - 2.100
R-factor	0.204
Rwork	0.201
R-free	0.25200
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL2Map
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.313
Number of reflections	47669
<I/σ(I)>	7.2	1.9
Completeness [%]	97.9	97.3
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M Hepes pH 7.5, 15% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M Hepes pH 7.5, 15% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K