6KOZ

Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid

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	2018-08-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	51.208, 57.420, 69.006
Unit cell angles	89.97, 82.76, 67.82

Refinement procedure

Resolution	26.551 - 2.250
R-factor	0.2208
Rwork	0.218
R-free	0.27230
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]	46.980	2.320
High resolution limit [Å]	2.250	2.250
Number of reflections	33608	3066
<I/σ(I)>	10.2	3.2
Completeness [%]	98.2
Redundancy	2.7
CC(1/2)	0.994	0.883

Crystallization Conditions

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