6IRU

Crystal structure of Peptidase E from Deinococcus radiodurans in P6422 space group

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	2018-09-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9778
Spacegroup name	P 64 2 2
Unit cell lengths	166.745, 166.745, 100.903
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.026 - 2.700
R-factor	0.2161
Rwork	0.214
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4t
RMSD bond length	0.006
RMSD bond angle	0.870
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]	48.140	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.107	1.147
Rmeas	0.110	1.186
Rpim	0.028	0.297
Number of reflections	23227	3029
<I/σ(I)>	23.5
Completeness [%]	100.0	100
Redundancy	14.5	14.9
CC(1/2)	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	294	0.1 M Bis-tris pH 6.5, 25 % PEG3350