1A74

I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-03-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 31 2 1
Unit cell lengths	113.400, 113.400, 88.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 1.900 *
R-factor	0.201 *
Rwork	0.216
R-free	0.24200 *
Structure solution method	MIR
RMSD bond length	0.013 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	1.900 *	2.200
Rmerge	0.033 *	0.093
Total number of observations	179752 *
Number of reflections	50210 *
<I/σ(I)>	15	8
Completeness [%]	96.3 *	75.8
Redundancy	3.58	3.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6	4 *	DNA:protein solution(in 2:1 ratio) was mixed with an equal volume of reservoir solution *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 4000
2	1	1	CITRATE
3	1	1	EDTA
4	1	1	SPERMINE
5	1	1	NACL
6	1	2	PEG 4000
7	1	2	NACL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	I-PpoI	3 (mg/ml)
2	1	reservoir		20 (mM)
3	1	reservoir		2 (mM)
4	1	reservoir	citrate	0.1 (M)
5	1	reservoir	PEG4000	21-27 (%)