3W3S

Crystal structure of A. aeolicus tRNASec in complex with M. kandleri SerRS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	90
Detector technology	CCD
Collection date	2009-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97848
Spacegroup name	I 4 3 2
Unit cell lengths	272.817, 272.817, 272.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.823 - 3.095
R-factor	0.2064
Rwork	0.204
R-free	0.26030
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.253
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.095	3.100
Rmerge	0.094	0.847
Number of reflections	31714
<I/σ(I)>	28.4	3.49
Completeness [%]	99.9	100
Redundancy	15	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	100mM trisodium citrate-HCl, 1.3M ammonium sulfate, 210mM potassium sodium tartrate, 50mM imidazole, 400mM NaCl, 10mM MgCl2, 0.5mM 5'-O-[N-(L-seryl)sulfamoyl]adenosine, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	100mM trisodium citrate-HCl, 1.3M ammonium sulfate, 210mM potassium sodium tartrate, 50mM imidazole, 400mM NaCl, 10mM MgCl2, 0.5mM 5'-O-[N-(L-seryl)sulfamoyl]adenosine, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K