3OII

Crystal structure of Saccharomyces Cerevisiae Nep1/Emg1 bound to S-adenosylhomocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00931
Spacegroup name	P 21 21 21
Unit cell lengths	45.988, 84.662, 112.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.1736
Rwork	0.172
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v3j
RMSD bond length	0.021
RMSD bond angle	1.881
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0057)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.061	0.040	0.403
Number of reflections	39930
<I/σ(I)>	22.6
Completeness [%]	94.4	99.5	63.1
Redundancy	6.9	7.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05M Ammonium Sulfate, 0.05M Bis-Tris, 30% Pentaerythritol ethoxylate, 20% glycerol, pH 6.5, Vapor diffusion, hanging drop, temperature 293K