4K31

Crystal structure of apramycin bound to the leishmanial rRNA A-site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9394
Spacegroup name	P 31
Unit cell lengths	32.790, 32.790, 107.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.510 - 1.415
R-factor	0.2277
Rwork	0.226
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g5k
RMSD bond length	0.006
RMSD bond angle	0.976
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.800	1.490
High resolution limit [Å]	1.400	1.420
Rmerge	0.048	0.137
Number of reflections	23325
<I/σ(I)>	14.1	5.7
Completeness [%]	94.5	98
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	50 mM Na cacodylate, 1 mM spermine tetrahydrochloride, 1% 2-methyl-2,4-pentadiol (vs. 40% reservoir), 100-250 mM NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K