4L76

Ca2+-bound E212Q mutant MthK RCK domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 65 2 2
Unit cell lengths	118.884, 118.884, 356.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.563 - 2.992
R-factor	0.2198
Rwork	0.217
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aef
RMSD bond length	0.012
RMSD bond angle	0.979
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]	45.000	45.000	3.110
High resolution limit [Å]	2.992	6.460	2.992
Rmerge	0.167	0.079
Number of reflections	30884
<I/σ(I)>	4.2
Completeness [%]	99.4	99.4	100
Redundancy	16.7	16.7	17.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	295	8% PEG4000, 1 M ammonium formate, 0.1 M sodium acetate, pH 4.8, 0.2 M calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K