7COG

Cholesterol esterase from Burkholderia stabilis (monoclinic crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	186.292, 47.092, 70.082
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	46.497 - 2.098
R-factor	0.2373
Rwork	0.219
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ys1
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.098	2.098
Rmeas	0.122	0.552
Number of reflections	71702	11384
<I/σ(I)>	8.7	2.31
Completeness [%]	99.5
Redundancy	3.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	sodium citrate, PEG4000, 2-propanol