5EFR

Crystal Structure of a BamA-BamD fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	69.909, 48.062, 78.027
Unit cell angles	90.00, 104.31, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.2121
Rwork	0.211
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qky
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2152)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.070	0.032	0.662
Rmeas	0.083	0.038	0.783
Rpim	0.044	0.020	0.414
Total number of observations	116652
Number of reflections	33843
<I/σ(I)>	13.6
Completeness [%]	98.4	98.6	99.1
Redundancy	3.4	3.6	3.5
CC(1/2)		0.998	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	10% PEG-3000, 15% 2-Propanol and 0.1M HEPES pH 5.6