3DRH

Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-19
Detector	ADSC Q210
Wavelength(s)	0.934
Spacegroup name	P 1 21 1
Unit cell lengths	39.707, 123.007, 59.308
Unit cell angles	90.00, 102.10, 90.00

Refinement procedure

Resolution	41.000 - 1.700
R-factor	0.167
Rwork	0.165
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3drf
RMSD bond length	0.013
RMSD bond angle	1.339
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]	41.030	52.410	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.054	0.029	0.365
Total number of observations		5268	24425
Number of reflections	60984
<I/σ(I)>	10.8	18.1	2
Completeness [%]	87.1	75.7	89
Redundancy	1.6	1.8	1.6

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