4GOK

The Crystal structure of Arl2GppNHp in complex with UNC119a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	101.450, 61.080, 143.620
Unit cell angles	90.00, 101.33, 90.00

Refinement procedure

Resolution	29.850 - 2.600
R-factor	0.24772
Rwork	0.245
R-free	0.29697
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ksh 3gqq
RMSD bond length	0.016
RMSD bond angle	1.714
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0093)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.850	2.650
High resolution limit [Å]	2.600	2.600
Rmerge	0.219	0.660
Number of reflections	26616
<I/σ(I)>	9.39	3
Completeness [%]	99.2	99.3
Redundancy	3.98	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2% PEG400 and 2M Ammonium Sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K