5W1U

Culex quinquefasciatus carboxylesterase B2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 32 2 1
Unit cell lengths	125.070, 125.070, 168.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.581 - 2.500
R-factor	0.1984
Rwork	0.195
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.646
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.160	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.161	1.226
Rpim	0.051	0.387
Number of reflections	53392	4561
<I/σ(I)>	11.7	2.2
Completeness [%]	100.0	100
Redundancy	10.7	10.9
CC(1/2)	0.996	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277.15	1.6 M ammonium sulfate, 0.1 M HEPES