9W48

Crystal structure of MacroD from Deinococcus radiodurans in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	36.787, 76.654, 109.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.170 - 1.640
R-factor	0.1686
Rwork	0.167
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cb5
RMSD bond length	0.006
RMSD bond angle	0.865
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.170	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	38362	5716
<I/σ(I)>	15.68
Completeness [%]	98.7
Redundancy	12.14
CC(1/2)	0.998	0.393

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1 M Sodium citrate tribasic dihydrate pH 5.6, 10% v/v 2-Propanol and 20% w/v Polyethylene glycol 4,000