3BDV

Crystal structure of a putative yden-like hydrolase (eca3091) from pectobacterium atrosepticum scri1043 at 1.66 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97953, 0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	35.655, 93.302, 104.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.563 - 1.660
R-factor	0.173
Rwork	0.170
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.563	42.563	1.720
High resolution limit [Å]	1.660	3.570	1.660
Rmerge	0.069	0.041	0.539
Number of reflections	41954	4454	4173
<I/σ(I)>	10.16	22.6	2.4
Completeness [%]	99.7	99.1	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	NANODROP, 0.2M Ca(OAc)2, 10.0% PEG 8000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K