3MZO

Crystal structure of a HD-domain phosphohydrolase (lin2634) from LISTERIA INNOCUA at 1.98 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97939,0.97925
Spacegroup name	C 1 2 1
Unit cell lengths	101.243, 121.866, 66.621
Unit cell angles	90.00, 121.36, 90.00

Refinement procedure

Resolution	48.741 - 1.980
R-factor	0.167
Rwork	0.166
R-free	0.20000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.401
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.741	48.741	2.050
High resolution limit [Å]	1.980	4.250	1.980
Rmerge	0.053	0.027	0.504
Number of reflections	47810	4875	4684
<I/σ(I)>	15.73	41.2	2.7
Completeness [%]	99.4	98.4	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2000M calcium chloride, 28.0000% polyethylene glycol 400, 0.1M HEPES pH 7.5, 0.005M 2'-deoxyadenosine 5'-monophosphate (dAMP), NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K