6KOY

Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan 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	2018-09-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	51.833, 57.457, 69.492
Unit cell angles	89.75, 82.64, 67.93

Refinement procedure

Resolution	41.910 - 2.350
R-factor	0.1685
Rwork	0.166
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a8z
RMSD bond length	0.004
RMSD bond angle	0.678
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]	44.890	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	29930	2663
<I/σ(I)>	14.3	4.1
Completeness [%]	97.5
Redundancy	2.6
CC(1/2)	0.996	0.945

Crystallization Conditions

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