8OIM

Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033210
Spacegroup name	P 1 21 1
Unit cell lengths	60.812, 88.966, 65.627
Unit cell angles	90.00, 96.41, 90.00

Refinement procedure

Resolution	42.048 - 1.994
Rwork	0.165
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.037
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.050	42.050	2.050
High resolution limit [Å]	1.990	8.920	1.990
Rmerge	0.071	0.053	0.281
Rmeas	0.099	0.074	0.392
Rpim	0.068	0.052	0.273
Number of reflections	44854	549	3110
<I/σ(I)>	9.5
Completeness [%]	94.9
Redundancy	3.4	3.3	3.4
CC(1/2)	0.992	0.988	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	5 mg/ml SPL, Index screen condition 78 (0.2 M Ammonium acetate, 0.1 M BIS-TRIS, 25% PEG 3350)