3E9T

Crystal structure of Apo-form Calx CBD1 domain

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	2007-07-19
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	59.086, 76.429, 128.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 1.600
R-factor	0.19426
Rwork	0.193
R-free	0.22315
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.634
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	1.700
High resolution limit [Å]	1.600	1.600
Number of reflections	73482
<I/σ(I)>	15.6	2
Completeness [%]	98.7	95.8
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	291	100 mM Bis-Tris, 200 mM NH4Ac, 10 mM MgCl2, 15% Polyethylene glycol 10,000, pH 6.5, EVAPORATION, temperature 291K