5U5O

Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 1
Unit cell lengths	27.900, 54.983, 57.317
Unit cell angles	67.72, 76.47, 85.35

Refinement procedure

Resolution	19.150 - 1.150
R-factor	0.18289
Rwork	0.181
R-free	0.21054
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house model
RMSD bond length	0.011
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.150	1.170
High resolution limit [Å]	1.150	1.150
Number of reflections	102468
<I/σ(I)>	20.2	1
Completeness [%]	94.1	90.6
Redundancy	7.9	7.9
CC(1/2)	1.000	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10% (v/v) PEG 8000, 20% (v/v) ethylene glycol, 0.02 M carboxylic acids (sodium formate, ammonium acetate, trisodium citrate, sodium potassium tartrate, sodium oxamate), and 0.1 M MES/Imidazole (pH 6.5).