7ECC

M4 family peptidase PlM4P-mature form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-29
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54056
Spacegroup name	P 21 21 21
Unit cell lengths	43.738, 85.272, 85.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.130 - 2.000
R-factor	0.2401
Rwork	0.238
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nqx
RMSD bond length	0.009
RMSD bond angle	1.594
Data reduction software	Aimless
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.130	20.120	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.246	0.113	1.609
Rmeas	0.262	0.118	1.774
Rpim	0.085	0.034	0.735
Total number of observations		3044	9012
Number of reflections	22253	272	1589
<I/σ(I)>	4.2	11.3	0.5
Completeness [%]	99.8	91.3	99.9
Redundancy	8.8	11.2	5.7
CC(1/2)	0.970	0.990	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Molecular Dimensions Morpheus II C12: 4mM Alkalis, 0.1M buffer 6, 31% precipitant mix 8