3K6B

X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0809
Spacegroup name	P 32 2 1
Unit cell lengths	97.314, 97.314, 67.462
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.800
R-factor	0.262
Rwork	0.262
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k66
RMSD bond length	0.011
RMSD bond angle	1.460
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	9028
<I/σ(I)>	20.7	2.6
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3350, 15% Isopropanol, 0.1 M Hepes pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K