6FSU

Crystal structure of E.coli BamA beta-barrel with a C-terminal extension

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	122.737, 159.378, 55.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.840 - 2.600
R-factor	0.27052
Rwork	0.269
R-free	0.29779
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n75
RMSD bond length	0.019
RMSD bond angle	2.106
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.840	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.156	1.072
Rpim	0.111	0.768
Number of reflections	34607	4151
<I/σ(I)>	7.7	1.4
Completeness [%]	99.8	99.8
Redundancy	5.4	5.5
CC(1/2)	0.997	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22 % (w/v) PEG 400, 0.07 M NaCl, 0.05 M sodium citrate pH 4.5