5CT6

Wild-type Bacillus subtilis lipase A with 20% [BMIM][Cl]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9999
Spacegroup name	P 43 21 2
Unit cell lengths	74.901, 74.901, 112.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.907 - 1.902
R-factor	0.1934
Rwork	0.191
R-free	0.22920
RMSD bond length	0.011
RMSD bond angle	1.172
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.122	0.000
Number of reflections	25866
<I/σ(I)>	14.5	1
Completeness [%]	100.0	100
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	35 % PEG 3350, 20 mM NaSO4, 0.1M ethanolamine, 10mM ZnCl2, pH 9.5