7V9O

Crystal structure of the lanthipeptide zinc-metallopeptidase EryP mutant E802R from saccharopolyspora erythraea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	58.909, 143.583, 60.580
Unit cell angles	90.00, 114.76, 90.00

Refinement procedure

Resolution	19.570 - 1.770
R-factor	0.1397
Rwork	0.139
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v9n
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MLPHARE
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.860	19.860	1.800
High resolution limit [Å]	1.770	9.530	1.770
Rmerge	0.079	0.040	0.322
Rmeas	0.085	0.043	0.351
Rpim	0.032	0.016	0.138
Total number of observations	597759	3826	28121
Number of reflections	88457	529	4499
<I/σ(I)>	16.1	35.6	5
Completeness [%]	99.7	89.5	99.8
Redundancy	6.8	7.2	6.3
CC(1/2)	0.998	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	20%(w/v), PEG 6000, MES 6.0, 200mM Ammonium chloride