7CI0

Microbial Hormone-sensitive lipase E53 mutant S162A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-05-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 2 21
Unit cell lengths	70.397, 129.771, 220.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 1.700
R-factor	0.1723
Rwork	0.171
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypv
RMSD bond length	0.011
RMSD bond angle	1.001
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.660	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.015	0.258
Number of reflections	221017	21745
<I/σ(I)>	20.16	2.49
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	MES pH 6.5, PEG, ammonium sulfate, dioxane, PEG 1000