5OAL

Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	150
Detector technology	CCD
Collection date	2015-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97627
Spacegroup name	P 32
Unit cell lengths	130.900, 130.900, 190.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.850 - 3.200
R-factor	0.1898
Rwork	0.188
R-free	0.23053
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xys
RMSD bond length	0.017
RMSD bond angle	2.053
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.850	3.290
High resolution limit [Å]	3.200	3.200
Rmerge	0.212	1.073
Number of reflections	59286	4605
<I/σ(I)>	8.3	2.3
Completeness [%]	98.7	98.5
Redundancy	8.1	7.3
CC(1/2)	0.991	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Reservoir buffer: 20 % PEG3350 0.2 M Mg formate Protein buffer: 50 mM trism 250 mM NaCl Ph 7.5, 0.5 mM strychnine