3OG5

Crystal Structure of BamA POTRA45 tandem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	118.492, 118.492, 69.992
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.786 - 2.690
R-factor	0.2163
Rwork	0.211
R-free	0.26030
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.204
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.800
High resolution limit [Å]	2.690	5.810	2.690
Rmerge	0.084	0.054	0.242
Number of reflections	29399
<I/σ(I)>	8.4
Completeness [%]	96.8	95.5	97.3
Redundancy	1.5	1.4	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES pH 7.5, 1.68M ammonium sulfate, 3% PEG 400, 0.25M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 289K