3DRI

Crystal structure of Lactococcal OppA co-crystallized with an octamer peptide in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-22
Detector	ADSC Q210
Wavelength(s)	0.931
Spacegroup name	P 1 21 1
Unit cell lengths	39.669, 123.224, 59.604
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	42.370 - 1.800
R-factor	0.164
Rwork	0.161
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3drf
RMSD bond length	0.011
RMSD bond angle	1.242
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.663	42.370	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.108	0.052	0.259
Total number of observations		5868	28016
Number of reflections	51727
<I/σ(I)>	2.3	8	2.8
Completeness [%]	100.0	99.2	100
Redundancy	3.7	3.5	3.7

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