3DRF

Lactococcal OppA complexed with an endogenous peptide in the closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-18
Detector	ADSC Q210r
Wavelength(s)	0.999
Spacegroup name	P 21 21 21
Unit cell lengths	59.114, 74.650, 115.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.750 - 1.300
R-factor	0.13286
Rwork	0.131
R-free	0.16147
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.290
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.380
High resolution limit [Å]	1.300	3.850	1.300
Rmerge	0.053	0.020	0.364
Number of reflections	124464	4935	19582
<I/σ(I)>	19.61	58.6	4.3
Completeness [%]	99.4	96.2	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M NaCl, 0.1M Na-Hepes, pH 7.0, 20% PEG 6000, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M NaCl, 0.1M Na-Hepes, pH 7.0, 20% PEG 6000, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M NaCl, 0.1M Na-Hepes, pH 7.0, 20% PEG 6000, vapor diffusion, hanging drop, temperature 293K