5CT5

Wild-type Bacillus subtilis lipase A with 10% [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	39.270, 82.780, 95.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.390 - 1.747
R-factor	0.1315
Rwork	0.129
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i6w
RMSD bond length	0.011
RMSD bond angle	1.375
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.400	1.840
High resolution limit [Å]	1.747	1.750
Rmerge	0.063	0.145
Number of reflections	32167
<I/σ(I)>	12.5	6.3
Completeness [%]	99.4	98.7
Redundancy	3.5	3.2

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