4K15

2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97911
Spacegroup name	P 32 2 1
Unit cell lengths	91.093, 91.093, 125.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.820 - 2.750
R-factor	0.19836
Rwork	0.196
R-free	0.24024
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.458
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.077	0.565
Number of reflections	16172
<I/σ(I)>	23.6	2.7
Completeness [%]	99.8	100
Redundancy	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	7.2 mg/mL protein in 0.5 M sodium chloride, 0.1 M Tris-HCl, pH 8.3 against Classics II screen (A9): 0.1 M Bis-Tris, pH 5.5, 3 M sodium chloride, cryoprotectant: paratone, VAPOR DIFFUSION, SITTING DROP, temperature 295K