4L7A

Crystal structure of a putative zinc-binding metallo-peptidase (BACCAC_01431) from Bacteroides caccae ATCC 43185 at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	39.096, 116.117, 135.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.090
R-factor	0.2041
Rwork	0.203
R-free	0.23410
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.576
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.590	29.590	2.160
High resolution limit [Å]	2.090	4.490	2.095
Rmerge	0.187	0.083	1.070
Number of reflections	37077	7125	5678
<I/σ(I)>	7.57	16	2
Completeness [%]	98.3	99.4	84.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	30.00% polyethylene glycol 3000, 0.01M EDTA sodium salt, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K