3TAL

Crystal structure of NurA with manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	64.803, 114.654, 121.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.478 - 3.150
R-factor	0.225
Rwork	0.218
R-free	0.28530
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.296
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	16937
Completeness [%]	99.8	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