3CB4

The Crystal Structure of LepA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	97.960, 146.243, 139.317
Unit cell angles	90.00, 100.60, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.24896
Rwork	0.246
R-free	0.29455
Structure solution method	SIRAS
RMSD bond length	0.007
RMSD bond angle	1.088
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.117	0.588
Number of reflections	88629
<I/σ(I)>	9.8	1.4
Completeness [%]	94.6	64.9
Redundancy	3.3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	100 mM Tris-HCl pH 8.0 10% Peg 2000MME, 100 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	8	292	100 mM Tris-HCl pH 8.0 10% Peg 2000MME, 100 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	8	292	100 mM Tris-HCl pH 8.0 10% Peg 2000MME, 100 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 292K