4RJD

TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-14
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	24.606, 85.637, 35.341
Unit cell angles	90.00, 93.00, 90.00

Refinement procedure

Resolution	27.230 - 2.000
R-factor	0.1809
Rwork	0.177
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lin
RMSD bond length	0.010
RMSD bond angle	1.452
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.230	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.029	0.118
Number of reflections	8955
<I/σ(I)>	24	8.1
Completeness [%]	90.5	94.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	288	50 mM HEPES, 100 mM KCl, 1mM MgCl2, 5 mM NTA, 50 uM EGTA, with 500 ul of 200 mM potassium thiocyanate, 20% polyethylene glycol 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K