3QDL

Crystal structure of RdxA from Helicobacter pyroli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 41
Unit cell lengths	49.440, 49.440, 304.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.120 - 2.000
R-factor	0.1898
Rwork	0.188
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1icr
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.120	38.383	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.086	0.320
Total number of observations		8670	37552
Number of reflections	48813
<I/σ(I)>	8.1	6.6	2.4
Completeness [%]	99.7	97.9	100
Redundancy	5.5	5.7	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25 % PEG 3350, 0.1 M Bis-Tris, 0.2 M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25 % PEG 3350, 0.1 M Bis-Tris, 0.2 M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K