3L2N

Crystal structure of Putative carboxypeptidase A (YP_562911.1) from SHEWANELLA DENITRIFICANS OS-217 at 2.39 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 61 2 2
Unit cell lengths	81.417, 81.417, 479.685
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.147 - 2.390
R-factor	0.182
Rwork	0.180
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.546
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.147	49.147	2.480
High resolution limit [Å]	2.390	5.120	2.390
Rmerge	0.206	0.013	0.013
Number of reflections	38954	4417	3905
<I/σ(I)>	13.16	31.7	2.5
Completeness [%]	99.7	99.5	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	15.0000% Glycerol, 0.1700M NH4OAc, 25.5000% PEG-4000, 0.1M Citrate pH 5.6, ADDITIVE: CALCIUM CHLORIDE 0.006 M, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K