2ZNJ

Crystal structure of Pyrrolysyl-tRNA synthetase from Desulfitobacterium hafniense

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	2007-05-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	124.925, 128.555, 124.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.670 - 2.500
R-factor	0.214
Rwork	0.214
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PylS
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	35020
<I/σ(I)>	55.82
Completeness [%]	100.0
Redundancy	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	50mM Na cacodylate, 50mM Ammonium sulfate, 20% PEG400, 10mM Na acetate, 0.2mM Na formate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K