3C01

Crystal structural of native SpaS C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-01
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	96.663, 96.663, 217.511
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	83.620 - 2.600
R-factor	0.225
Rwork	0.223
R-free	0.25400
RMSD bond length	0.018
RMSD bond angle	1.834
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.620	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.064	0.733
Number of reflections	36776
<I/σ(I)>	11.2
Completeness [%]	99.6	98.3
Redundancy	6.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	(NH4)SO4, MPD, L-Cystein, NaCl, Tris, pH 8.0, vapor diffusion, temperature 293K, pH 8.00