1L2W

Crystal Structure of the Yersinia Virulence Effector YopE Chaperone-binding Domain in Complex with its Secretion Chaperone, SycE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	72.845, 73.352, 74.263
Unit cell angles	103.37, 109.18, 107.36

Refinement procedure

Resolution	20.000 - 2.030 *
R-factor	0.249 *
Rwork	0.251
R-free	0.27400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jya
RMSD bond length	0.006
RMSD bond angle	1.160 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.030
High resolution limit [Å]	2.030 *	2.030 *
Rmerge	0.058	0.490 *
Number of reflections	84804
<I/σ(I)>	18.22	1.77
Completeness [%]	96.7 *	96.7 *
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8 *	18 *	PEG 8000, sodium tartrate, sodium acetate, dithiothreitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	120 (mg/ml)
2	1	1	Tris	10 (mM)	pH8.0
3	1	1	dithiothreitol	1 (mM)
4	1	2	PEG8000	18 (%(w/v))
5	1	2	sodium tartrate	50 (mM)
6	1	2	sodium acetate	100 (mM)	pH4.6
7	1	2	dithiothreitol	1 (mM)