1J24

Crystal structure of archaeal XPF/Mus81 homolog, Hef from Pyrococcus furiosus, nuclease domain, Ca cocrystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	69.795, 69.795, 58.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.780
Rwork	0.215
R-free	0.24600
Structure solution method	MAD
Starting model (for MR)	selenomet-phased model
RMSD bond length	0.005 *
RMSD bond angle	1.080 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.780	1.790
Rmerge	0.052	0.246
Number of reflections	16139
<I/σ(I)>	20.1
Completeness [%]	98.9	89.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8	20 *	Tricine-NaOH, NaCl, NaN3, subtilisin, CaCl2 , pH 8.0, MICRODIALYSIS, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	60 (mg/ml)
2	1	2	tricine-NaOH	100 (mM)	pH8.0
3	1	2		300 (mM)
4	1	2		0.025 (%)