5NJ9

E. coli Microcin-processing metalloprotease TldD/E with DRVY angiotensin fragment bound

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	2015-08-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	64.630, 173.530, 82.860
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	74.770 - 1.250
R-factor	0.151
Rwork	0.149
R-free	0.18220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nj5
RMSD bond length	0.011
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.770	74.770	1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.134	0.052	1.884
Rmeas	0.145	0.056	2.057
Rpim	0.056	0.021	0.814
Total number of observations	3363286
Number of reflections	500650
<I/σ(I)>	8.5
Completeness [%]	99.9	99.7	99.7
Redundancy	6.7	6.8	6.2
CC(1/2)	0.998	0.998	0.296

Crystallization Conditions

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