3TAZ

Crystal structure of NurA bound to dAMP and manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2011-06-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.158, 114.847, 123.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.712 - 3.200
R-factor	0.1957
Rwork	0.191
R-free	0.27940
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.456
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	15913
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	21% PEG 400, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K