1GPP

Crystal structure of the S.cerevisiae Homing Endonuclease PI-SceI Domain I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-05-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	102.856, 47.595, 60.297
Unit cell angles	90.00, 121.41, 90.00

Refinement procedure

Resolution	20.000 - 1.350
R-factor	0.153
Rwork	0.150
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vde
RMSD bond length	0.018
RMSD bond angle	1.830 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.029	0.164
Total number of observations	359618 *
Number of reflections	51602	1141 *
<I/σ(I)>	34.5	2.5
Completeness [%]	94.1	64.1
Redundancy	2.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *		30 % PEG4000, 0.1 M SODIUM CITRATE PH 5.6, 0.2 M NH4-ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein-RNA	0.35 (mM)
2	1	reservoir	PEG4000	30 (%)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6
4	1	reservoir	ammonium acetate	0.2 (M)