3FXA

Crystal structure of a putative sugar-phosphate isomerase (lmof2365_0531) from listeria monocytogenes str. 4b f2365 at 1.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645
Spacegroup name	P 31
Unit cell lengths	57.944, 57.944, 197.964
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.976 - 1.600
R-factor	0.135
Rwork	0.133
R-free	0.15700
Structure solution method	MAD + MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.605
Data reduction software	MOSFLM (7.0.1)
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.976	28.976	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.085	0.051	0.652
Total number of observations		8183	23127
Number of reflections	97660
<I/σ(I)>	5.726	41	1.8
Completeness [%]	99.6	98.8	97.2
Redundancy	4.7	7.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277	NANODROP, 0.2M Mg formate, 20.0% PEG 3350, No Buffer pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	6.3	277	NANODROP, 0.2M NH4Cl, 20.0% PEG 3350, No Buffer pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K