3RYA

Lactococcal OppA complexed with SLSQLSSQS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	70
Detector technology	CCD
Collection date	2011-02-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.628, 99.555, 123.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 2.900
R-factor	0.2261
Rwork	0.224
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3drf chain A
RMSD bond length	0.006
RMSD bond angle	0.948
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.410		2.960
High resolution limit [Å]	2.900	8.250	2.900
Rmerge	0.211	0.045	0.805
Number of reflections	11804	564	2011
<I/σ(I)>	8.2	26.16	2.06
Completeness [%]	98.3	95.4	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M NACL, 0.1M NA-HEPES, 20% PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K