2DU5

Crystal structure of Archaeoglobus fulgidus O-phosphoseryl-tRNA synthetase E418N/E420N mutant complexed with tRNAOpal and O-phosphoserine ("opal complex")

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	173
Detector technology	CCD
Collection date	2006-07-03
Detector	ADSC QUANTUM 315
Spacegroup name	P 31 2 1
Unit cell lengths	148.040, 148.040, 152.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.070 - 3.200
R-factor	0.223
Rwork	0.223
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du3
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	32270
Completeness [%]	99.9	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	8% PEG 6000, 1.2M NaCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 6000
2	1	1	NaCl
3	1	2	PEG 6000
4	1	2	NaCl