4GPK

Crystal structure of NprR in complex with its cognate peptide NprX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	122.240, 133.350, 137.500
Unit cell angles	108.25, 104.83, 103.83

Refinement procedure

Resolution	29.736 - 3.200
R-factor	0.2755
Rwork	0.270
R-free	0.29940
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.632
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.280
High resolution limit [Å]	3.090	9.140	3.090
Rmerge	0.045	0.029	0.643
Number of reflections	132663
<I/σ(I)>	16.87	40.6	1.95
Completeness [%]	97.0	95.4	94.5
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	0.975M Natrium Citrate, 0.1M HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	0.975M Natrium Citrate, 0.1M HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K