3W56

Structure of a C2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953697
Spacegroup name	I 1 2 1
Unit cell lengths	25.348, 55.219, 89.746
Unit cell angles	90.00, 91.17, 90.00

Refinement procedure

Resolution	27.610 - 1.600
R-factor	0.2137
Rwork	0.212
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nsj
RMSD bond length	0.019
RMSD bond angle	1.853
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (dev_895)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.027	44.864	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.048	0.355
Rmeas		0.054	0.399
Rpim		0.025	0.182
Total number of observations		2407	10548
Number of reflections	16003
<I/σ(I)>	9	21.1	2.3
Completeness [%]	97.9	99.5	96.5
Redundancy	4.6	4.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	293	100mM Tris-HCl, 200mM MgCl2, 20% PEG 3350, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K