5CT4

Wild-type Bacillus subtilis lipase A with 5% [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 21 21 21
Unit cell lengths	39.440, 83.160, 95.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.400 - 1.490
R-factor	0.1274
Rwork	0.126
R-free	0.15640
RMSD bond length	0.009
RMSD bond angle	1.203
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.400	1.570
High resolution limit [Å]	1.490	1.490
Rmerge	0.040	0.126
Number of reflections	52595
<I/σ(I)>	16.9	7.2
Completeness [%]	99.4	96.9
Redundancy	3.5	3.3

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