5UBU

2.75 Angstrom Resolution Crystal Structure of Acetamidase from Yersinia enterocolitica.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	137.884, 137.884, 204.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.750
R-factor	0.18656
Rwork	0.185
R-free	0.21996
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.673
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.135	0.736
Number of reflections	51774
<I/σ(I)>	17.8	3.1
Completeness [%]	100.0	100
Redundancy	7.9	8
CC(1/2)		0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Protein: 8.2 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (B11), 2.1M DL-Malic acid (pH 7.0); Cryo: Screen : 50% Sucrose (1:1).