5NJB

E. coli Microcin-processing metalloprotease TldD/E with actinonin bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	64.570, 172.880, 82.630
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	50.870 - 1.500
R-factor	0.132
Rwork	0.130
R-free	0.16850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nj5
RMSD bond length	0.009
RMSD bond angle	1.390
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.870	50.870	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.133	0.044	1.344
Rmeas	0.144	0.048	1.457
Rpim	0.055	0.018	0.554
Number of reflections	287508
<I/σ(I)>	10.1
Completeness [%]	99.8	99.1	99.2
Redundancy	6.8	7	6.7
CC(1/2)	0.997	0.998	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	NULL