3I05

Tryptophanyl-tRNA synthetase from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-15
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	51.294, 51.426, 89.970
Unit cell angles	95.29, 100.14, 106.05

Refinement procedure

Resolution	30.760 - 2.800
R-factor	0.244
Rwork	0.241
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dr2
RMSD bond length	0.010
RMSD bond angle	1.238
Data reduction software	d*TREK
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.760	30.760	2.900
High resolution limit [Å]	2.800	6.020	2.800
Rmerge	0.077	0.038	0.324
Total number of observations		6404	6356
Number of reflections	20576
<I/σ(I)>	9.2	22.5	2.6
Completeness [%]	97.1	97.3	95.7
Redundancy	3.07	3.01	3.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.2 M Sodium Malonate, 20% PEG 3350, 1mM TCEP, pH 7.0, vapor diffusion, temperature 293K