6KP1

Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine 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	2018-09-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9778
Spacegroup name	P 1
Unit cell lengths	51.806, 57.496, 69.444
Unit cell angles	89.92, 82.48, 67.83

Refinement procedure

Resolution	21.450 - 2.190
R-factor	0.2204
Rwork	0.218
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a8z
RMSD bond length	0.003
RMSD bond angle	0.616
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]	47.500	2.260
High resolution limit [Å]	2.190	2.190
Number of reflections	36707	2953
<I/σ(I)>	9.6	3.2
Completeness [%]	97.3
Redundancy	3.3
CC(1/2)	0.997	0.956

Crystallization Conditions

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