2O2G

Crystal structure of Dienelactone hydrolase (YP_324580.1) from Anabaena variabilis ATCC 29413 at 1.92 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	2006-10-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645, 0.97942, 0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	47.895, 62.465, 67.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.163 - 1.920
R-factor	0.186
Rwork	0.183
R-free	0.23800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.688
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.163	50.000	1.990
High resolution limit [Å]	1.920	4.140	1.920
Rmerge	0.070	0.035	0.275
Number of reflections	14877
<I/σ(I)>	9.6		2.857
Completeness [%]	92.0	97.4	81
Redundancy	3.9	4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl, 0.1M CHES pH 9.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K