4XJE

CRYSTAL STRUCTURE OF ANT(2") IN COMPLEX WITH AMP AND TOBRAMYCIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2014-07-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	P 43 21 2
Unit cell lengths	42.020, 42.020, 191.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.990 - 1.880
R-factor	0.1684
Rwork	0.167
R-free	0.18840
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.875
Data reduction software	xia2 (0.3.7.0)
Data scaling software	XDS
Phasing software	SHELX (2013)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.990	47.990	1.930
High resolution limit [Å]	1.880	8.410	1.880
Rmerge	0.056	0.018	0.511
Rpim	0.010	0.003	0.139
Total number of observations	469871	7339	13702
Number of reflections	14841
<I/σ(I)>	53.5	184.7	5
Completeness [%]	99.5	99.9	97.1
Redundancy	31.7	34.5	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.04 M potassium di-hydrogen phosphate, 16% PEG 8000, 20% glycerol