3WYD

C-terminal esterase domain of LC-Est1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-19
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	45.861, 55.446, 156.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.530
R-factor	0.1924
Rwork	0.191
R-free	0.22481
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.439
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	78.140
High resolution limit [Å]	1.530
Rmerge	0.181
Number of reflections	60179
<I/σ(I)>	14.5
Completeness [%]	98.5
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M Sodium chloride, 0.1M BIS-TRIS, 25% PEG3,350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M Sodium chloride, 0.1M BIS-TRIS, 25% PEG3,350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K