5LW0

Oryza sativa APL macrodomain in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	73.496, 91.318, 62.882
Unit cell angles	90.00, 103.32, 90.00

Refinement procedure

Resolution	56.310 - 1.650
R-factor	0.1564
Rwork	0.155
R-free	0.18727
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lw6
RMSD bond length	0.021
RMSD bond angle	1.564
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.310	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.080	0.406
Number of reflections	47191
<I/σ(I)>	12.8	3.2
Completeness [%]	97.4	77.7
Redundancy	6.7	5.2
CC(1/2)	0.996	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	25% PEG 1500 + 0.1 M SPG buffer (succinic acid, sodium phosphate monobasic monohydrate and glycine)