1QZ0

Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97148
Spacegroup name	P 1
Unit cell lengths	47.292, 53.450, 69.066
Unit cell angles	109.61, 104.75, 89.98

Refinement procedure

Resolution	25.000 - 1.500
Rwork	0.188
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ypt
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.038 *	0.280
Number of reflections	87736
<I/σ(I)>	17	1.7
Completeness [%]	89.3 *	68
Redundancy	1.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	20% PEG 3350, 100 mM HEPES, 100 mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10.3 (mg/ml)
2	1	reservoir	HEPES	100 (mM)	pH7.5
3	1	reservoir	PEG4000	20 (%(w/v))
4	1	reservoir	2-propanol	10 (%(v/v))