1O6T

Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	95.919, 55.881, 97.780
Unit cell angles	90.00, 113.07, 90.00

Refinement procedure

Resolution	20.000 * - 1.600
R-factor	0.133
Rwork	0.131
R-free	0.17300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018 *
RMSD bond angle	1.750 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.860
High resolution limit [Å]	1.600 *	1.600 *
Rmerge	0.048 *	0.317 *
Number of reflections	62613 *
<I/σ(I)>	14.4	3.4
Completeness [%]	99.5 *	99.2 *
Redundancy	3.6 *	3.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	20 *	METHOD: VAPOUR DIFFUSION / HANGING DROP, PROTEIN: 10 MG/ML IN 10 MM HEPES PH 7.0, RESEVOIR: 10% PEG 4000, 100 MM MES/TRIS PH 6.0, 100 MM AMMONIUM SULFATE, 10 MM CACL2. CRYSTALS GREW APPROX 2 YEARS AFTER SETUP. TRUE CRYSTALLIZATION CONDITIONS PROBABLY DEVIATE FROM THOSE INDICATED

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	10 (%(w/v))
3	1	reservoir	MES-Tris	100 (mM)	pH6.0
4	1	reservoir	ammonium sulfate	100 (mM)