5CV1

C. elegans PGL-1 Dimerization Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 61 2 2
Unit cell lengths	59.720, 59.720, 227.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.070 - 3.599
R-factor	0.3011
Rwork	0.299
R-free	0.32110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cow
RMSD bond length	0.003
RMSD bond angle	0.625
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.070	47.070	3.726
High resolution limit [Å]	3.599	16.100	3.599
Rmerge	0.107	0.042	0.706
Rmeas	0.112	0.044	0.730
Total number of observations	61362
Number of reflections	5264	59	397
<I/σ(I)>	19.75	46.43	5.63
Completeness [%]	99.9	93.7	100
Redundancy	19.2		19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	298	1.575-1.625 M Sodium Malonate pH 5.9, 50-100 mM GuCl, 1 mM TCEP, 0.02% Na azide