4K87

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	120.163, 120.163, 107.098
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.976 - 2.301
R-factor	0.2197
Rwork	0.217
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k86
RMSD bond length	0.011
RMSD bond angle	1.382
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	2.530	2.340
High resolution limit [Å]	2.300	2.480	2.300
Number of reflections	39883
Completeness [%]	99.7	98.8	96.9

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