4XXT

Crystal structure of Fused Zn-dependent amidase/peptidase/peptodoglycan-binding domain-containing protein from Clostridium acetobutylicum ATCC 824

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97925
Spacegroup name	P 31 2 1
Unit cell lengths	60.790, 60.790, 125.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.360 - 1.770
R-factor	0.169
Rwork	0.168
R-free	0.19590
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.106
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.042	0.027	0.505
Rmeas	0.044	0.029	0.552
Rpim	0.015	0.011	0.218
Total number of observations	219308
Number of reflections	26936
<I/σ(I)>	13.5		2.84
Completeness [%]	99.6	98.1	93.4
Redundancy	8.1	7.4	6
CC(1/2)		0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M Calcium Acetate, 0.1M Tris-HCl, 20% PEG3000