7BWL

Structure of antibiotic sequester from Pseudomonas aerurinosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-12
Detector	ADSC QUANTUM 1
Wavelength(s)	1.00004
Spacegroup name	P 43 21 2
Unit cell lengths	53.338, 53.338, 134.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.250
R-factor	0.22
Rwork	0.218
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wub
RMSD bond length	0.009
RMSD bond angle	1.453
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.085	0.053
Rmeas	0.089	0.056
Rpim	0.026	0.018
Number of reflections	15025	846
<I/σ(I)>	10.6
Completeness [%]	99.7	95.6
Redundancy	11.7	9.6
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	in 0.2 M Sodium chloride, 0.1 M Na/K phosphate pH 6.2, and 40 % PEG 400