3G1Z

Structure of IDP01693/yjeA, a potential t-RNA synthetase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	69.901, 68.905, 73.270
Unit cell angles	90.00, 110.31, 90.00

Refinement procedure

Resolution	47.510 - 1.950
R-factor	0.1841
Rwork	0.181
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Swiss-model (http://swissmodel.expasy.org/SWISS-MODEL.html) model using the input protein sequence
RMSD bond length	0.013
RMSD bond angle	1.436
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.146	0.561
Number of reflections	54044
<I/σ(I)>	20.05	3.82
Completeness [%]	96.1	85.8
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1.6 M Sodium/Potassium dihydrogen phosphate, 0.1 M HEPES, pH 7.5, 0.5 mM ATP and 0.3 mM MgCl2, cryoprotected in N-Paratone oil , VAPOR DIFFUSION, HANGING DROP, temperature 295K