4UP8

Crystal structure of Entamoeba histolytica lysyl-tRNA synthetase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-12
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 62
Unit cell lengths	156.483, 156.483, 93.554
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.541 - 2.896
R-factor	0.218
Rwork	0.216
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bju
RMSD bond length	0.005
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	3.070
High resolution limit [Å]	2.900	2.900
Rmerge	0.140
Number of reflections	29106
<I/σ(I)>	12.2	0.9
Completeness [%]	99.8	99.4
Redundancy	6.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		100 MM HEPES PH 7.5, 10% PEG 6000, 5% MPD