4L74

Ca2+-bound MthK RCK domain at 1.9 Angstrom with single ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	58.233, 38.424, 96.821
Unit cell angles	90.00, 94.32, 90.00

Refinement procedure

Resolution	14.842 - 1.841
R-factor	0.2128
Rwork	0.211
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aef
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	1.920
High resolution limit [Å]	1.841	3.960	1.841
Rmerge	0.068	0.036	0.336
Number of reflections	35686
<I/σ(I)>	12.3
Completeness [%]	96.7	98.9	96.1
Redundancy	4.4	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	295	6% PEG4000, 1 M ammonium formate, 0.1 M sodium acetate, pH 4.8, 0.2 M calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K