5CFS

Crystal Structure of ANT(2")-Ia in complex with AMPCPP 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	2015-02-27
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	P 21 21 21
Unit cell lengths	40.720, 45.970, 89.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.096 - 1.700
R-factor	0.1674
Rwork	0.166
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xje
RMSD bond length	0.006
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	xia2 (0.3.7.0)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.100	37.100	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.055	0.026	0.574
Rpim	0.011	0.005	0.274
Total number of observations	489780	9636	7529
Number of reflections	19150
<I/σ(I)>	43.1	147.1	2.6
Completeness [%]	99.7	99.5	99.9
Redundancy	25.6	38.1	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	295	100 mM MES pH 6.3, 28% PEG 200, 5% PEG 3000, 1mM MnCl2, 10 mM AMPCPP, 10mM tobramycin