5GIU

Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site

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	2013-09-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979470
Spacegroup name	P 43 21 2
Unit cell lengths	60.327, 60.327, 203.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.890 - 1.610
R-factor	0.1836
Rwork	0.183
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cdv
RMSD bond length	0.016
RMSD bond angle	1.470
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.890	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.055	0.295
Number of reflections	49035
<I/σ(I)>	20.5	2.9
Completeness [%]	98.0	79.4
Redundancy	6	2.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	0.1M phospho-citrate pH 4.54, 0.2M NaCl, 14% PEG 8000