6WPY

Crystal structure of Bacillus licheniformis lipase BlEst2 in mature form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4585
Spacegroup name	P 21 2 21
Unit cell lengths	102.077, 122.518, 157.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.490 - 3.600
R-factor	0.216
Rwork	0.214
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wpx
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.490	3.700
High resolution limit [Å]	3.600	3.600
Rpim	0.197	0.489
Number of reflections	23568	2306
<I/σ(I)>	4.8	1.8
Completeness [%]	99.3
Redundancy	6.4
CC(1/2)	0.940	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M MMT pH 5.0 and 25% (w/v) PEG 1500