5CRI

Wild-type Bacillus subtilis lipase A with 0% [BMIM][Cl]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-10-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	39.254, 82.622, 95.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.421 - 1.630
R-factor	0.1296
Rwork	0.128
R-free	0.16380
RMSD bond length	0.010
RMSD bond angle	1.274
Data reduction software	iMOSFLM
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	1.720
High resolution limit [Å]	1.630	1.630
Rmerge	0.058	0.205
Number of reflections	39315
<I/σ(I)>	15.2	4.7
Completeness [%]	99.7	99.7
Redundancy	3.8	3.7

Crystallization Conditions

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