3V2B

Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose

Replaces:  3KH6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	68.102, 91.187, 62.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.050 - 2.200
R-factor	0.17648
Rwork	0.173
R-free	0.23823
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1spv
RMSD bond length	0.018
RMSD bond angle	1.586
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.127	0.553
Number of reflections	10255
<I/σ(I)>	13.9	4.4
Completeness [%]	100.0	100
Redundancy	7.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	20% PEG6000, 0.1M NA-ACETATE, 0.2M NaCl, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K