6KF7

Microbial Hormone-sensitive lipase E53 mutant S285G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2017-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	P 21 2 21
Unit cell lengths	70.657, 129.715, 219.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.530 - 1.800
R-factor	0.1699
Rwork	0.169
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypv
RMSD bond length	0.006
RMSD bond angle	0.833
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.530	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.119	0.548
Number of reflections	186934	18389
<I/σ(I)>	21.756
Completeness [%]	99.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Calcium chloride, Bis-Tris, PEG MME 550, pH 6.5