3MC8

POTRA1-3 of the periplasmic domain of Omp85 from Anabaena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-04
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	105.268, 105.268, 83.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.590
R-factor	0.229
Rwork	0.226
R-free	0.28100
Structure solution method	SAD
Starting model (for MR)	SELENOMETHIONINE SAD PHASED MUTANT (F291M) FOLLOWED BY MR INTO NATIVE DATA.
RMSD bond length	0.016
RMSD bond angle	1.648
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.590	2.590
Rmerge	0.099	0.472
Number of reflections	15133
<I/σ(I)>	26.4	6.9
Completeness [%]	100.0	100
Redundancy	20.3	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.1 M Tris buffer, 0.8 M Na/K Tartrate, 0.5% PEG-MME 5000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.1 M Tris buffer, 0.8 M Na/K Tartrate, 0.5% PEG-MME 5000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K