4W7Y

Dimeric BAP29 vDED with disulfide bonds in crystal contacts

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97800
Spacegroup name	P 65
Unit cell lengths	118.870, 118.870, 30.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.315 - 2.500
R-factor	0.1973
Rwork	0.195
R-free	0.23520
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.310	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	16720
<I/σ(I)>	17.09	2.93
Completeness [%]	99.9	99.9
Redundancy	6.4	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	292.15	Grown in 34% 2-methyl-2,4-pentanediol (MPD), 100 mM Na acetate pH 4.6 and 20 mM CaCl2 using SeMet labeled protein purified in 20 mM Tris pH 8, 150 mM NaCl and 2 mM tris(2-carboxyethyl)phosphine (TECEP) and concentrated to ~13 mg/mL.