9LDA

The complex structure of K63A/5'-p-ADPR-DNA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	85.057, 85.057, 67.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.930 - 2.330
R-factor	0.2206
Rwork	0.219
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.599
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.720	2.450
High resolution limit [Å]	2.330	2.330
Rmerge	0.139	1.473
Rmeas	0.143	1.520
Rpim	0.033	0.372
Total number of observations	208073	26204
Number of reflections	11091	1580
<I/σ(I)>	16.2	2.3
Completeness [%]	100.0
Redundancy	18.8	16.6
CC(1/2)	0.999	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	1 M Sodium citrate tribasic 100 mM Imidazole pH 8.0