5YZN

Crystal structure of S9 peptidase (active form) 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	2015-11-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	120.432, 148.223, 190.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.279 - 2.300
R-factor	0.2058
Rwork	0.204
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yzm
RMSD bond length	0.002
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.280	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.124	0.929
Rmeas	0.133	1.002
Rpim	0.050	0.373
Number of reflections	151191	7386
<I/σ(I)>	11.4	2.1
Completeness [%]	100.0	99.9
Redundancy	7.1	7.2
CC(1/2)	0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.3	294	40mM potassium phosphate, 20% glycerol, 16% PEG 8000