5NXR

Trimeric structure of Omp-Pst1, the major porin from Providencia stuartii

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	2010-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	108.840, 129.000, 159.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.23958
Rwork	0.237
R-free	0.28537
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d64
RMSD bond length	0.013
RMSD bond angle	2.371
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.030	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.081	0.748
Number of reflections	57401	3376
<I/σ(I)>	23.48	2.02
Completeness [%]	90.6	73.1
Redundancy	4.36	4.14
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	14% PEG 6000 MME, 0.1 M MES pH 6.5, 0.1 M MgCl2