2PAX

THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 4-AMINO-1,8-NAPHTHALIMIDE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	59.230, 64.530, 96.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.100 - 2.400
R-factor	0.167
Rwork	0.167
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1pax
RMSD bond length	0.010
RMSD bond angle	23.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.100	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.073	0.232
Total number of observations	49815 *
Number of reflections	13590
<I/σ(I)>	13.8	7.3
Completeness [%]	95.0 *	73 *
Redundancy	3.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		PROTEIN WAS CRYSTALLIZED FROM 12% PEG 600, 6% ISOPROPANOL, 100 MM TRIS, PH 8.5 AND 0.03MM 4-AMINO-1,8-NAPHTALIMIDE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	beta-octylglucoside	0.1 (%(w/v))
3	1	drop	Ap4A	5 (mM)
4	1	reservoir	PEG4000	17 (%(w/v))
5	1	reservoir	2-propanol	8 (%(v/v))
6	1	reservoir	Tris-HCl	70 (mM)