4JWL

Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH7.5

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 21 21
Unit cell lengths	32.750, 66.090, 90.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.780 - 1.950
R-factor	0.1707
Rwork	0.166
R-free	0.25555
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jmi
RMSD bond length	0.013
RMSD bond angle	1.605
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]	30.780
High resolution limit [Å]	1.950
Number of reflections	13638
Completeness [%]	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M MGSO4, 18% PEG 5000 MME, 0.1M MES PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K