5CT9

G158E/K44E/R57E/Y49E 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	48.140, 55.900, 64.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.905 - 1.400
R-factor	0.1259
Rwork	0.124
R-free	0.15360
RMSD bond length	0.009
RMSD bond angle	1.229
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.070	0.119
Number of reflections	34601
<I/σ(I)>	8	17.4
Completeness [%]	99.1	100
Redundancy	13.2	13.8

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