3R3P

Homing Endonuclease I-Bth0305I Catalytic Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	52.292, 52.292, 133.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.198 - 2.200
R-factor	0.2204
Rwork	0.216
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.486
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.370	2.240
High resolution limit [Å]	2.200	2.320	2.200
Number of reflections	9728
Completeness [%]	99.9	100	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	30% PEG 4000, 50 mM Tris, 100 mM LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K