4JMO

Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9763
Spacegroup name	P 21 3
Unit cell lengths	89.940, 89.940, 89.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.220 - 1.800
R-factor	0.15471
Rwork	0.152
R-free	0.21021
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jmi
RMSD bond length	0.013
RMSD bond angle	1.563
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.220	1.900
High resolution limit [Å]	1.800	1.800
Rmerge		0.085
Number of reflections	22395
<I/σ(I)>		2.4
Completeness [%]	99.0	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M MgSO4,Peg5K MME 18%, 0.1M Tris-HCl, pH 8.5 , VAPOR DIFFUSION, SITTING DROP, temperature 298K