4XEA

Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	127.201, 127.201, 65.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 1.950
R-factor	0.1824
Rwork	0.181
R-free	0.21400
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.366
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.980
High resolution limit [Å]	1.950	5.280	1.950
Rmerge	0.111	0.100	0.000
Rmeas	0.117	0.106
Rpim	0.035	0.034	0.431
Total number of observations	463809
Number of reflections	40177
<I/σ(I)>	23.447		2.03
Completeness [%]	99.9	98.5	100
Redundancy	11.5	10.1	11.4
CC(1/2)		0.992	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.17 M Na acetate, 0.085 M Tris/HCl, pH 8.5, 25.5% PEG4000, 15% glycerol,chymotrypsin treated