3IAL

Giardia lamblia Prolyl-tRNA synthetase in complex with prolyl-adenylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-08
Detector	MarUSA MarMosaic -325 CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	83.338, 87.624, 142.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.190 - 2.200
R-factor	0.174
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nj5
RMSD bond length	0.007
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.5.0096)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.369
Number of reflections	52868
<I/σ(I)>	8	2.8
Completeness [%]	98.7	92.2
Redundancy	4.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	7.8	298	28% PEG 3350, 0.21 M MgCl2, 0.1 M Tris-HCl (pH 7.8), 10 mM ATP, 10 mM L-Proline, 1 mM TCEP; for cryoprotection, crystal-containing drop was diluted approx. four-fold with 30% glycerol, 0.175 M MgCl2, 24.5% PEG 3350, 0.105 M Tris (pH 8.2), 0.7 mM TCEP and crystal was frozen in LN2 after several minutes of equilibration., sitting drop vapor diffusion, temperature 298K