1T1U

Structural Insights and Functional Implications of Choline Acetyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9504
Spacegroup name	P 21 21 21
Unit cell lengths	138.949, 77.505, 59.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.550
Rwork	0.171
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nm8
RMSD bond angle	0.112
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.550	1.510
Number of reflections	72446
<I/σ(I)>	10.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	50mM MES buffer, 100mM NaCl, PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K