5KZT

Listeria monocytogenes OppA bound to peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	100.277, 74.630, 155.061
Unit cell angles	90.00, 109.38, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.16914
Rwork	0.167
R-free	0.20489
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4faj
RMSD bond length	0.009
RMSD bond angle	1.321
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.108	0.618
Number of reflections	92580
<I/σ(I)>	17.3	2.3
Completeness [%]	98.4	99.2
Redundancy	3.2	3
CC(1/2)		0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	Protein solution: 12.0 mg/ml, 0.01 M Tris-HCl pH 8.3, and 10/mg/ml tryptone Crystallization condition: Classics II (Qiagen) D10: 0.1 M Bis-Tris pH 6.5 and 20% (w/v) PEG 5000 MME