1X1U

Water-mediate interaction at aprotein-protein interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	200.278, 43.805, 83.310
Unit cell angles	90.00, 110.59, 90.00

Refinement procedure

Resolution	14.980 - 2.300
R-factor	0.2
Rwork	0.200
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.056
Number of reflections	27030
<I/σ(I)>	25.9
Completeness [%]	88.4	91.6
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP