4GEX

Structure of a stabilised ceSAS-6 dimer, second crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9163
Spacegroup name	P 31 2 1
Unit cell lengths	107.870, 107.870, 165.051
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.930 - 2.800
R-factor	0.2096
Rwork	0.208
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.020	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	27968
Completeness [%]	99.9	99.8
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 40 % (v/v) PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 277K