3SON

Crystal structure of a putativel NUDIX hydrolase (LMOf2365_2679) from Listeria monocytogenes str. 4b F2365 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97937,0.97908
Spacegroup name	P 43
Unit cell lengths	57.880, 57.880, 94.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.671 - 1.710
R-factor	0.1651
Rwork	0.163
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.565
Data reduction software	XDS
Data scaling software	XSCALE (June 12, 2007)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.671	27.670	1.750
High resolution limit [Å]	1.700	7.610	1.700
Rmerge	0.042	0.033	0.426
Number of reflections	34048	380	2476
<I/σ(I)>	13.88	42.2	3.1
Completeness [%]	99.0	95.1	99.8
Redundancy		5.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	10.0% 2-propanol, 0.2M Ca(OAc)2, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K