5XK2

Crystal structure of mono- and diacylglycerol lipase from Aspergillus oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 1 21 1
Unit cell lengths	47.329, 67.277, 89.574
Unit cell angles	90.00, 95.21, 90.00

Refinement procedure

Resolution	33.973 - 1.695
R-factor	0.1422
Rwork	0.141
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.236
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (phenix.refine: 1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.973	33.973	1.800
High resolution limit [Å]	1.695	5.060	1.700
Rmerge	0.051	0.041	0.117
Rmeas	0.055	0.045	0.130
Number of reflections	61241	2421	9058
<I/σ(I)>	24.16	40.23	9.35
Completeness [%]	98.5	99.8	90.9
Redundancy	6.496	6.581	5.128
CC(1/2)	0.999	0.998	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Bis-Tris pH 6.5, 45% polypropylene glycol P 400, VAPOR DIFFUSION SITTING DROP, temperature 293K