4K88

Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	P 31 2 1
Unit cell lengths	120.813, 120.813, 104.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.025 - 2.619
R-factor	0.2391
Rwork	0.237
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((Phaser-2.5.1))
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.880	2.670
High resolution limit [Å]	2.619	2.820	2.620
Number of reflections	26034
Completeness [%]	96.7	96.7	89.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium cacodylate, 1.0M sodium citrate dibasic trihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K