3TAI

Crystal structure of NurA

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	2010-09-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	65.000, 114.210, 122.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.552 - 2.820
R-factor	0.2056
Rwork	0.202
R-free	0.27550
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.425
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	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	42436
Completeness [%]	99.9	99.2

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