4KWU

1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e in complex with alpha-D-glucose, beta-D-glucose, magnesium and calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0782
Spacegroup name	C 1 2 1
Unit cell lengths	166.125, 102.962, 75.006
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	29.920 - 1.900
R-factor	0.13686
Rwork	0.135
R-free	0.17075
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kmq
RMSD bond length	0.013
RMSD bond angle	1.573
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.076	0.568
Number of reflections	94351
<I/σ(I)>	15.8	2.6
Completeness [%]	98.5	97.5
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	crystallization conditions - 0.2 M magnesium formate, 20% (w/v) PEG3350 (The JCSG+ suite: A5), protein - 7.3 mg/mL in 10 mM Tris-HCl pH8.3 500 mM NaCl 5 mM BME, soak/cryo - crystallization conditions + 50% glucose, VAPOR DIFFUSION, SITTING DROP, temperature 295K