2ZZE

Crystal structure of alanyl-tRNA synthetase without oligomerization domain in lysine-methylated 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	2008-07-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	89.063, 130.151, 94.855
Unit cell angles	90.00, 117.46, 90.00

Refinement procedure

Resolution	38.580 - 2.160
R-factor	0.191
Rwork	0.189
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1riq 1v7o
RMSD bond length	0.008
RMSD bond angle	1.125
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.068	0.036	0.343
Number of reflections	100967
<I/σ(I)>	21.411
Completeness [%]	98.2	99.3	97.1
Redundancy	3.9	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	PEG 4000, ammonium acetate, tri-sodium citrate, pH 5.6, vapor diffusion, temperature 293K