2P4O

CRYSTAL STRUCTURE OF A PUTATIVE LACTONASE OF THE SMP-30/GLUCONOLACTONASE/LRE-LIKE REGION FAMILY (NPUN_F0524) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.90 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	2007-02-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97895, 0.97925
Spacegroup name	P 42 21 2
Unit cell lengths	91.442, 91.442, 75.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.696 - 1.900
R-factor	0.174
Rwork	0.172
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.591
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.696	29.700	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.072	0.037	0.752
Total number of observations		1931	13433
Number of reflections	25746
<I/σ(I)>	6	16.2	1
Completeness [%]	100.0	97	100
Redundancy	7.1	5.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	NANODROP, 1.7M (NH4)2SO4, 15.0% Glycerol, 1.7% PEG 400, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K