5H0P

Crystal structure of EF-hand protein mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	80
Detector technology	CCD
Collection date	2013-10-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9897
Spacegroup name	P 21 21 21
Unit cell lengths	36.675, 51.105, 53.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.796 - 1.862
R-factor	0.2009
Rwork	0.196
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i2l
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.860	1.860
Rmerge		0.315
Number of reflections	8596
<I/σ(I)>	22.7	6.6
Completeness [%]	96.9	98.4
Redundancy	13.2	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.2 M trimethlyamine-N-oxide dihydrate, 0.1 M Tris-HCl (pH 8.5), 20% (w/v) PEG 2000 MME