6GRG

E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	180.640, 83.280, 86.790
Unit cell angles	90.00, 91.43, 90.00

Refinement procedure

Resolution	86.760 - 2.350
R-factor	0.1683
Rwork	0.165
R-free	0.22590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6gos
RMSD bond length	0.010
RMSD bond angle	1.438
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.760	86.760	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.140	0.030	1.641
Rmeas	0.150	0.032	1.763
Rpim	0.054	0.012	0.635
Total number of observations	409359
Number of reflections	53732	641	3965
<I/σ(I)>	11.6
Completeness [%]	99.9	99.3	99.5
Redundancy	7.6	6.9	7.5
CC(1/2)	0.998	0.999	0.422

Crystallization Conditions

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