6GRI

E. coli Microcin synthetase McbBCD complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	183.900, 82.110, 87.530
Unit cell angles	90.00, 91.45, 90.00

Refinement procedure

Resolution	91.920 - 2.700
R-factor	0.19
Rwork	0.186
R-free	0.25480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6gos
RMSD bond length	0.008
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.920	91.920	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.118	0.029	1.660
Rmeas	0.128	0.032	1.801
Rpim	0.049	0.013	0.693
Total number of observations	245530
Number of reflections	35976	432	2618
<I/σ(I)>	13.1
Completeness [%]	99.9	99.1	99.8
Redundancy	6.8	6.1	6.7
CC(1/2)	0.998	0.999	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NULL