4OFP

Crystal Structure of SYG-2 D3-D4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	121.240, 121.240, 178.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.315 - 3.000
R-factor	0.2439
Rwork	0.242
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ofk
RMSD bond length	0.006
RMSD bond angle	1.055
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1492))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Number of reflections	27351
<I/σ(I)>	13.15
Completeness [%]	99.9
Redundancy	18.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	295	0.9 M Diammonium tartrate, 0.1 M Sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K