5F7V

ABC substrate-binding protein Lmo0181 from Listeria monocytogenes in complex with cycloalternan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	.97872
Spacegroup name	P 1 21 1
Unit cell lengths	49.034, 37.639, 90.426
Unit cell angles	90.00, 93.21, 90.00

Refinement procedure

Resolution	29.840 - 1.400
R-factor	0.15293
Rwork	0.151
R-free	0.18099
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.853
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.067	0.360
Number of reflections	64488
<I/σ(I)>	15.9	3
Completeness [%]	99.0	99.9
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	26 mg/mL protein in 0.05 M sodium chloride, 0.01 M Tris-HCl, pH 8.3, 2 mM cycloalternan against Classics II D4 (Qiagen, 0.1 M citric acid, pH 3.5, 25% w/v PEG3350)