5Z47

Crystal structure of pyrrolidone carboxylate peptidase I with disordered loop A 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	IMAGE PLATE
Collection date	2017-09-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979470
Spacegroup name	I 1 2 1
Unit cell lengths	89.317, 47.171, 105.537
Unit cell angles	90.00, 105.66, 90.00

Refinement procedure

Resolution	29.770 - 1.700
R-factor	0.2083
Rwork	0.207
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z40
RMSD bond length	0.006
RMSD bond angle	0.871
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]	38.330	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.498
Rmeas	0.070	0.586
Rpim	0.037	0.388
Number of reflections	46549	2462
<I/σ(I)>	13.7	2.7
Completeness [%]	99.3	99.9
Redundancy	3.7	3.7
CC(1/2)	0.998	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	294	0.2M NaCl, 0.1M Bis-tris pH 6.5, 25% PEG 3350