6A4T

Crystal structure of Peptidase E from Deinococcus radiodurans R1

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	CCD
Collection date	2014-04-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.97947
Spacegroup name	P 41 21 2
Unit cell lengths	95.417, 95.417, 92.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.709 - 2.000
R-factor	0.2746
Rwork	0.273
R-free	0.29910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4e
RMSD bond length	0.002
RMSD bond angle	0.568
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]	47.710	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.099	0.748
Rmeas	0.105	0.790
Rpim	0.034	0.254
Number of reflections	29488	2138
<I/σ(I)>	14.2	3
Completeness [%]	100.0	100
Redundancy	9.5	9.6
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	294	0.1 M Tris-Cl pH 7.5, 0.2 M magnesium chloride, 22 % PEG 8000