5HIT

Crystal Structure Analysis of Ca2+-calmodulin and a C-terminal EAG1 channel fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	C 2 2 21
Unit cell lengths	53.624, 121.137, 73.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.830 - 2.850
R-factor	0.2107
Rwork	0.205
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cfd 3oxq
RMSD bond length	0.004
RMSD bond angle	0.443
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.830	46.830	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.071	0.019	0.613
Rpim	0.040	0.012	0.334
Total number of observations	23869	741	3540
Number of reflections	5817
<I/σ(I)>	15.3	44.6	2.7
Completeness [%]	99.2	98.2	99.4
Redundancy	4.1	3.5	4.2
CC(1/2)	0.999	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	di-ammonium citrate, PEG 3350