5IFU

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-13
Detector	RAYONIX MX-300
Wavelength(s)	0.979490
Spacegroup name	P 43 21 2
Unit cell lengths	138.310, 138.310, 156.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.737 - 2.450
R-factor	0.1863
Rwork	0.185
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q15
RMSD bond length	0.003
RMSD bond angle	0.668
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (dev_1819)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.737	43.737	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.066	0.026	0.533
Number of reflections	56139
<I/σ(I)>	18.69	38	4.15
Completeness [%]	99.5	90.5	100
Redundancy			7.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	at 22mg/ml, incubated with 5mM glyburide, then 1:1 with Morpheus(g2): 10% PEG-8000, 20% ethylene glycol, 0.1M MES/imidazole, pH=6.5, 0.03M each sodium formate, ammonium acetate, trisodium citrate, sodium potassium tartrate, sodium oxamate