4L5M

Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	P 21 3
Unit cell lengths	89.450, 89.450, 89.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 1.800
R-factor	0.13814
Rwork	0.136
R-free	0.18126
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.278
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	63.250
High resolution limit [Å]	1.800
Number of reflections	21216
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M Mes, pH 6.5, 18% Peg 5000 MME, 0.1M MgSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K