6KP0

Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-12-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	50.632, 57.204, 67.049
Unit cell angles	89.86, 85.08, 68.57

Refinement procedure

Resolution	33.385 - 2.100
R-factor	0.2322
Rwork	0.231
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a8z
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	39796	3180
<I/σ(I)>	9.1	3
Completeness [%]	97.8
Redundancy	3.9
CC(1/2)	0.998	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	Bis-tris, ammonium formate, PEG3350