3DZM

Crystal structure of a major outer membrane protein from Thermus thermophilus HB27

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	2008-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.072
Spacegroup name	P 31 2 1
Unit cell lengths	166.980, 166.980, 98.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.126 - 2.801
R-factor	0.198
Rwork	0.196
R-free	0.23400
Structure solution method	SIRAS
RMSD bond length	0.013
RMSD bond angle	1.649
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.097	1.034
Number of reflections	38811
<I/σ(I)>		1.42
Completeness [%]	99.5	97.2
Redundancy	9.8	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.2M sodium malonate, 44% MPD, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.2M sodium malonate, 44% MPD, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.2M sodium malonate, 44% MPD, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.2M sodium malonate, 44% MPD, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K