3ADD

Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	90
Detector technology	CCD
Collection date	2009-05-26
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	91.860, 258.896, 45.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.550 - 2.400
R-factor	0.22
Rwork	0.218
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3adb
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.079	0.553
Number of reflections	39929
<I/σ(I)>	19	2.56
Completeness [%]	91.4	88
Redundancy	4.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	14.5% PEG 3350, 40mM sodium citrate-HCl (pH 5.2), 260mM ammonium tartrate, 5.0mM magnesium chloride, 1.0mM AMPPNP, VAPOR DIFFUSION, SITTING DROP, temperature 293K