5NJA

E. coli Microcin-processing metalloprotease TldD/E with angiotensin analogue 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	2015-09-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	64.630, 173.530, 83.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.760 - 1.400
R-factor	0.1324
Rwork	0.130
R-free	0.17120
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nj5
RMSD bond length	0.009
RMSD bond angle	1.396
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.760	86.760	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.115	0.064	1.125
Rmeas	0.124	0.070	1.217
Rpim	0.048	0.027	0.461
Number of reflections	349069
<I/σ(I)>	9.6
Completeness [%]	97.7	99.4	95.6
Redundancy	6.9	6.7	6.8
CC(1/2)	0.997	0.994	0.470

Crystallization Conditions

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