5NC5

Crystal structure of AcrBZ in complex with antibiotic puromycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	147.245, 167.646, 249.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.928 - 3.200
R-factor	0.1859
Rwork	0.183
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dx5
RMSD bond length	0.019
RMSD bond angle	1.910
Data reduction software	iMOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Rmerge	0.175
Number of reflections	94271
<I/σ(I)>	5.2
Completeness [%]	92.5
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	80 mM Bis-Tris, pH 6.0, 50 mM sodium citrate, 120 mM KCl, 10% PEG 4000, 0.5% N,N-dimethyldodecylamine N-oxide