1V4P

Crystal structure of Alanyl-tRNA Synthetase from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-10-03
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	42.802, 97.861, 60.872
Unit cell angles	90.00, 96.51, 90.00

Refinement procedure

Resolution	38.040 - 1.450
R-factor	0.207
Rwork	0.206
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	1.297
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.051	0.453
Number of reflections	88112
<I/σ(I)>		2.3
Completeness [%]	99.9	99.5
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.3	291	PEG 4000, pH 6.3, Microbatch, temperature 291K
1	MICROBATCH	6.3	291	PEG 4000, pH 6.3, Microbatch, temperature 291K