5NJF

E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide 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	65.160, 174.480, 83.650
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	65.160 - 1.420
R-factor	0.1402
Rwork	0.139
R-free	0.17110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nj5
RMSD bond length	0.010
RMSD bond angle	1.346
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]	65.160	65.160	1.460
High resolution limit [Å]	1.420	6.350	1.420
Rmerge	0.084	0.042	1.543
Rmeas	0.091	0.045	1.677
Rpim	0.035	0.017	0.647
Number of reflections	346357
<I/σ(I)>	11.9
Completeness [%]	99.0	99.7	98
Redundancy	6.8	7.4	6.5
CC(1/2)	0.998	0.998	0.440

Crystallization Conditions

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