6FIE

Crystallographic structure of calcium loaded Calbindin-D28K.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	84.617, 104.222, 29.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.900 - 1.510
R-factor	0.203
Rwork	0.202
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	I23 Partial Model
RMSD bond length	0.010
RMSD bond angle	1.010
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.610	1.540
High resolution limit [Å]	1.510	1.510
Rmerge	0.041	0.852
Rmeas	0.048	0.996
Rpim	0.024	0.506
Number of reflections	41505	2048
<I/σ(I)>	14.4	1.4
Completeness [%]	99.1	99.8
Redundancy	3.7	3.7
CC(1/2)	0.998	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sample: 41.6mg/ml Calbindin-D28k in 1mM CaCl 5mM Tris pH8.0 (HCl). Reservoir: 0.1M Potassium thiocyanate and 30% w/v PEG 2000 MME.