1LWT

Crystal structure of the intein homing endonuclease PI-SceI bound to its substrate DNA (Ca2+ free)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	200
Detector technology	CCD
Collection date	2000-11-27
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.200, 87.400, 214.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 3.200
Rwork	0.242
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lws
RMSD bond length	0.011
RMSD bond angle	1.712 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.082	0.193
Total number of observations	117632 *
Number of reflections	12363
<I/σ(I)>	11.9
Completeness [%]	83.6	69.9 *
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	18 *	PEG 3550, na citrate, ammonium acetate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 3550
2	1	1	na citrate
3	1	1	ammonium acetate
4	1	2	na citrate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	PEG3350	20 (%(w/v))
3	1	reservoir		0.2 (M)
4	1	reservoir	sucrose	2.5 (%(w/v))
5	1	reservoir	sodium citrate	0.1 (M)	pH5.8