3CE2

Crystal structure of putative peptidase from Chlamydophila abortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	147.775, 147.775, 143.658
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.940 - 2.600
R-factor	0.195
Rwork	0.192
R-free	0.24600
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.434
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.129
Number of reflections	54008
<I/σ(I)>	4.9	1.5
Completeness [%]	100.0	100
Redundancy	16.2	16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M Hepes pH 7.5, 1.4 M Sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K