5TVH

Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 8.0 spacegroup P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	67.780, 88.100, 115.500
Unit cell angles	90.00, 97.50, 90.00

Refinement procedure

Resolution	50.468 - 2.400
R-factor	0.1928
Rwork	0.191
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BYR.pdb
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
Low resolution limit [Å]	88.100
High resolution limit [Å]	2.400
Rmerge	0.457
Rpim	0.178
Number of reflections	50190
<I/σ(I)>	16.2
Completeness [%]	95.1
Redundancy	7.4
CC(1/2)	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	281	20% PEG 4000, 0.1M Tris pH 8.0, 0.2M NaCl