3M4Q

Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	102.047, 102.047, 205.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 3.000
R-factor	0.222
Rwork	0.220
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m4p; A chain protein only model
RMSD bond length	0.006
RMSD bond angle	0.958
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	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.121	0.762
Number of reflections	22471
<I/σ(I)>	9.2	1.75
Completeness [%]	99.8	98.9
Redundancy	13.9	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	298	0.2 ul 29 mg/ml protein in SGPP buffer mixed with 0.2 ul well soln. (100 mM HEPES pH 7.6, 25% PEG 3350, 200 mM MgCl2); cryoprotected by soaking ~1 min. in well soln supplemented with 10% PEG 200, vapor diffusion, sitting drop, temperature 298K