3TCH

Crystal structure of E. coli OppA in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-26
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	57.409, 82.275, 125.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.390 - 1.980
R-factor	0.1803
Rwork	0.178
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.229
Data scaling software	XSCALE
Phasing software	PHASER (2.2.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	5.880	2.100
High resolution limit [Å]	1.980	4.180	1.980
Rmerge	0.074	0.046	0.350
Number of reflections	41615	2953	6212
<I/σ(I)>	14.38	28.04	4.23
Completeness [%]	98.5	99.4	92.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 8000, glycerol, pH 6.0, vapor diffusion, hanging drop, temperature 293K