5COW

C. remanei 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	2013-12-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 31 2 1
Unit cell lengths	89.610, 89.610, 51.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.802 - 1.600
R-factor	0.1662
Rwork	0.165
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cv3
RMSD bond length	0.007
RMSD bond angle	0.993
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.810	38.810	1.620
High resolution limit [Å]	1.600	9.000	1.600
Rmerge	0.079	0.031	1.920
Rmeas	0.083	0.033	2.018
Total number of observations	347288
Number of reflections	31737	212	1143
<I/σ(I)>	17.54	42.13	1.42
Completeness [%]	100.0	99.1	100
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	100 mM PIPES pH 6.0, 24-27% PEG 4K, 200 mM LiSO4