2XTI

Asparaginyl-tRNA synthetase from Brugia malayi complexed with ATP:Mg and L-Asp-beta-NOH adenylate:PPi:Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-13
Detector	ADSC QUANTUM 4r
Spacegroup name	P 21 21 21
Unit cell lengths	57.920, 106.390, 161.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.220 - 2.400
R-factor	0.21606
Rwork	0.213
R-free	0.29837
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xgt
RMSD bond length	0.013
RMSD bond angle	1.356
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.420
Number of reflections	38929
<I/σ(I)>	10	3.3
Completeness [%]	97.6	95.4
Redundancy	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		ROOM TEMPERATURE HANGING-DROP VAPOUR DIFFUSION IN 0.1 M HEPES PH 8.5, 200MM SODIUM ACETATE USING 17-19 % PEG 4000 AS PRECIPITANT. PROTEIN CONCENTRATION OF 2.5MG/ML WITH 10 MM ATP:MGCL2, 10 MM L-ASP-BETA-NOH.