5LJ9

Structure of the E. coli MacB ABC domain (C2221)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96862
Spacegroup name	C 2 2 21
Unit cell lengths	57.470, 96.210, 262.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.540 - 2.300
R-factor	0.18804
Rwork	0.186
R-free	0.22521
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lja
RMSD bond length	0.015
RMSD bond angle	1.732
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall
Low resolution limit [Å]	52.540
High resolution limit [Å]	2.300
Number of reflections	31381
<I/σ(I)>	14
Completeness [%]	95.2
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	2.8 M sodium formate, 100 mM sodium acetate pH 4.6