3BLU

crystal structure YopH complexed with inhibitor PVS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-15
Spacegroup name	P 21 21 21
Unit cell lengths	48.849, 54.092, 96.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
Rwork	0.205
R-free	0.25300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3blt
RMSD bond length	0.005
RMSD bond angle	1.280
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.097
Number of reflections	17150
Completeness [%]	94.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	25% w/v poly(ethylene glycol) 3350, 100 mM NaCl ,and 100 mM HEPES buffer (pH7.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K