4ND6

Crystal structure of apo 3-nitro-tyrosine tRNA synthetase (5B) in the open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	77
Detector technology	CCD
Collection date	2012-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 43 21 2
Unit cell lengths	101.140, 101.140, 73.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.570 - 2.000
R-factor	0.2013
Rwork	0.199
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.600	2.090
High resolution limit [Å]	2.000	2.000
Number of reflections	23953
Completeness [%]	96.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	22-23% PEG 300, 5% PEG 8000, 10% glycerol and 100 mM Tris pH 8.0 to 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K