1GS0

Crystal structure of the catalytic fragment of murine poly(ADP-ribose) polymerase-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	83.650, 85.820, 139.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 2.800
R-factor	0.244
Rwork	0.244
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1efy
RMSD bond length	0.008
RMSD bond angle	22.600 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.073 *	0.255 *
Number of reflections	25407 *
<I/σ(I)>	4.2	2.4
Completeness [%]	99.9	99.9 *
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		100 MM TRIS-HCL PH 8.0, 9% PEG 8000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop		100 (mM)
4	1	reservoir	PEG8000	9 (%)
5	1	reservoir	Tris-HCl	100 (mM)	pH7.5