3M4P

Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) in complex with asparaginyl-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	2009-08-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	99.426, 58.816, 181.259
Unit cell angles	90.00, 90.45, 90.00

Refinement procedure

Resolution	41.360 - 2.830
R-factor	0.202
Rwork	0.199
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x56 protein only model prepared using CHAINSAW
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.5.0106)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.930
High resolution limit [Å]	2.830	2.830
Rmerge	0.062	0.459
Number of reflections	50783
<I/σ(I)>	14.9	2.7
Completeness [%]	100.0	100
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	1 ul 22 mg/ml protein in SGPP buffer mixed with 1 ul well soln. (100 mM Bis-Tris pH 5.5, 28% PEG 3350, 240 mM ammonium sulfate), drop supplemented with 10 mM L-asparagine + 10 mM ATP + 10 mM MgCl2 + 5 mM DTT; cryoprotected by quick dip in well soln containing 30% PEG 3350 and supplemented with 15% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K