9HGZ

Crystal structure of recombinant swine butyrylcholinesterase

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	CCD
Collection date	2011-11-27
Detector	MAR CCD 300 mm
Wavelength(s)	0.87260
Spacegroup name	P 41
Unit cell lengths	124.553, 124.553, 175.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	124.550 - 2.460
R-factor	0.2049
Rwork	0.203
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.600	2.500
High resolution limit [Å]	2.458	2.458
Rmerge	0.308	2.109
Rmeas	0.320	2.228
Rpim	0.085	0.716
Number of reflections	97104	4836
<I/σ(I)>	11.454	1.4
Completeness [%]	100.0	99.9
Redundancy	14	9.44
CC(1/2)	0.993	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350