3HPB

Crystal structure of SNX5-PX domain in P212121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-17
Detector	RIGAKU SATURN 944
Spacegroup name	P 21 21 21
Unit cell lengths	42.957, 75.874, 77.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 2.190
R-factor	0.24
Rwork	0.236
R-free	0.28400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.284
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SnB
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.780	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.033	0.256
Number of reflections	12680
<I/σ(I)>	28.1	3.5
Completeness [%]	93.4	62.3
Redundancy	4.18	2.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	277	the protein solution in the final superdex-75 buffer (20 mM Tris.HCl, 100 mM NaCl, 0.02% NaN3, pH 8.0) was concentrated to 8 mg/ml. The Se-Met derivative and the 2.19 A crystals were obtained using an optimized initial crystallization condition of 8 ul of protein vs 1 ul of reservoir solution (0.2M (NH4)2SO4, 0.1M Sodium cacodylate tryhydrate pH 6.5, 30% PEG 8000) at 4C by sitting drop vapor diffusion, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1		8	277	the protein solution in the final superdex-75 buffer (20 mM Tris.HCl, 100 mM NaCl, 0.02% NaN3, pH 8.0) was concentrated to 8 mg/ml. The Se-Met derivative and the 2.19 A crystals were obtained using an optimized initial crystallization condition of 8 ul of protein vs 1 ul of reservoir solution (0.2M (NH4)2SO4, 0.1M Sodium cacodylate tryhydrate pH 6.5, 30% PEG 8000) at 4C by sitting drop vapor diffusion, VAPOR DIFFUSION, SITTING DROP, temperature 277K