3A77

The crystal structure of phosphorylated IRF-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	163.469, 102.459, 68.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.197
Rwork	0.194
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j2f
RMSD bond length	0.005
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.093	0.320
Number of reflections	107284
<I/σ(I)>	10
Completeness [%]	99.6	98.8
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	10% MPD, 50mM sodium acetate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K