2XE3

OmpC28

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
Detector	ADSC CCD
Spacegroup name	P 63
Unit cell lengths	103.489, 103.489, 186.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.880 - 2.850
R-factor	0.215
Rwork	0.214
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xe1
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	2.900	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.120	0.740
Number of reflections	24149
<I/σ(I)>	15.5	2.8
Completeness [%]	96.0	97
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1