6NPO

Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	56.542, 54.900, 82.917
Unit cell angles	90.00, 106.21, 90.00

Refinement procedure

Resolution	38.630 - 2.400
R-factor	0.20052
Rwork	0.195
R-free	0.25416
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4faj
RMSD bond length	0.009
RMSD bond angle	1.549
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.200	1.583
Number of reflections	19690	947
<I/σ(I)>	14.1	1.72
Completeness [%]	100.0	99.9
Redundancy	11.1	10.6
CC(1/2)	0.994	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1 M HEPES/Na pH 7.0, 30% jeffamine ED-2001 pH 7.0, 5mM Lys-Lys-Lys oligopeptide, cryo 30% glycerol