6EYF

Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue

Replaces:  6EUL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 4 2 2
Unit cell lengths	154.183, 154.183, 127.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.546 - 2.600
R-factor	0.1836
Rwork	0.181
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4aqd
RMSD bond length	0.031
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.550	2.718
High resolution limit [Å]	2.600	2.600
Rmerge	0.028	0.281
Rmeas	0.040	0.397
Rpim	0.028	0.281
Number of reflections	23889	2827
<I/σ(I)>	19.16	2.47
Completeness [%]	99.7	99.96
Redundancy	2	2
CC(1/2)	0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100 mM Tris pH 8.5, 2.15 M ammonium sulfate.