6IDY

Crystal structure of Aspergillus fumigatus lipase B

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	2017-05-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97737
Spacegroup name	P 41 21 2
Unit cell lengths	152.190, 152.190, 134.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.480 - 2.150
R-factor	0.174
Rwork	0.173
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6g
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.799	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.150	0.808
Rmeas	0.157	0.848
Number of reflections	86274	13718
<I/σ(I)>	14.59	3.32
Completeness [%]	99.9	99.7
Redundancy	11.14	10.86
CC(1/2)	0.998	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.7 M Ammonia Sulfate, 0.1 M Tris.Cl, pH 6.5