6A4R

Crystal structure of aspartate bound peptidase E from Salmonella enterica

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	2018-06-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	67.155, 42.889, 89.290
Unit cell angles	90.00, 107.02, 90.00

Refinement procedure

Resolution	41.605 - 1.828
R-factor	0.1902
Rwork	0.189
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fy2
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.340	1.870
High resolution limit [Å]	1.827	1.830
Rmerge	0.057	0.470
Rmeas	0.070	0.601
Rpim	0.041	0.369
Number of reflections	41754	2142
<I/σ(I)>	13.4	1.9
Completeness [%]	96.2	79.5
Redundancy	2.9	2.3
CC(1/2)	0.997	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	294	0.1 M Bis-tris pH 5.5, 0.2 M Sodium chloride, 31 % Peg 3350