5GIQ

Xaa-Pro peptidase from Deinococcus radiodurans, Zinc bound

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	2016-06-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979470
Spacegroup name	P 43 21 2
Unit cell lengths	60.007, 60.007, 202.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 1.800
R-factor	0.1661
Rwork	0.165
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cdv
RMSD bond length	0.011
RMSD bond angle	1.084
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.140	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.047	0.335
Number of reflections	34916
<I/σ(I)>	24
Completeness [%]	98.1	81.5
Redundancy	4.5	3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	294	0.1M Phospho-Citrate pH 4.54, 0.2M NaCl, 22% PEG 8000