3AM1

Crystal structure of O-Phosphoseryl-tRNA kinase complexed with anticodon-stem/loop truncated tRNA(Sec)

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	2010-07-19
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 31 1 2
Unit cell lengths	46.749, 46.749, 459.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.463 - 2.400
R-factor	0.2324
Rwork	0.229
R-free	0.29190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a4n
RMSD bond length	0.006
RMSD bond angle	1.536
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.111	0.054	0.392
Number of reflections	22946
<I/σ(I)>	25.886
Completeness [%]	97.6	97.6	79.4
Redundancy	14.3	19.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	100mM phosphate buffer (pH 6.2), 0.2M NaCl, 41% PEG 200, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP