5TSF

Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121

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 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	88.190, 115.700, 131.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.720 - 2.286
R-factor	0.193
Rwork	0.190
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BYR.pdb
RMSD bond length	0.008
RMSD bond angle	1.088
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]	86.720
High resolution limit [Å]	2.286
Number of reflections	61343
<I/σ(I)>	28.8
Completeness [%]	99.1
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	20% PEG 4000, 0.1M HEPES pH 7.0, 0.15M ammonium sulfate