5NJC

E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9282
Spacegroup name	P 1 21 1
Unit cell lengths	65.290, 175.440, 84.330
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	65.290 - 1.350
R-factor	0.1468
Rwork	0.145
R-free	0.18280
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nj5
RMSD bond length	0.010
RMSD bond angle	1.380
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.290	65.290	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.067	0.023	1.623
Rmeas	0.073	0.024	1.755
Rpim	0.028	0.009	0.660
Number of reflections	403735
<I/σ(I)>	17
Completeness [%]	97.7	99.8	94.6
Redundancy	6.9	7.4	6.9
CC(1/2)	0.999	0.992	0.429

Crystallization Conditions

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