3U96

Crystal Structure of YopHQ357F(Catalytic Domain, Residues 163-468) in complex with pNCS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1
Unit cell lengths	49.863, 53.993, 65.759
Unit cell angles	104.78, 108.79, 97.83

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.1806
Rwork	0.179
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.387
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	59.000
High resolution limit [Å]	1.800
Number of reflections	54165
<I/σ(I)>	18.5
Completeness [%]	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	20% PEG 10000, 0.1M Hepes, pH 7.5, vapor diffusion, temperature 291K