7PE5

Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 65
Unit cell lengths	74.082, 74.082, 348.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.179 - 2.100
Rwork	0.206
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uv6
RMSD bond length	0.013
RMSD bond angle	1.807
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.179	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.095	1.627
Rmeas	0.101	1.720
Rpim	0.033	0.552
Number of reflections	62500	4599
<I/σ(I)>	10	1.6
Completeness [%]	99.5	98.9
Redundancy	9.6	9.7
CC(1/2)	0.996	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol