3KXP

Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	115.200, 178.530, 189.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.260
Rwork	0.204
R-free	0.24500
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.246
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.260	4.870	2.260
Rmerge	0.103	0.046	0.458
Rmeas	0.103
Total number of observations	727191
Number of reflections	297847
<I/σ(I)>	7
Completeness [%]	91.6	91.5	68.2
Redundancy	4.3	4.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	8-12% PEG8000, 200 mM MgCl2, 100 mM Tris, pH 7.5, vapor diffusion, hanging drop, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	8-12% PEG8000, 200 mM MgCl2, 100 mM Tris, pH 7.5, vapor diffusion, hanging drop, temperature 295K