6KF5

Microbial Hormone-sensitive lipase E53 mutant I256L

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)	0.97776
Spacegroup name	P 21 2 21
Unit cell lengths	70.772, 129.603, 219.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 2.090
R-factor	0.1844
Rwork	0.183
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypv
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.500	2.130
High resolution limit [Å]	2.090	2.090
Number of reflections	119275	11668
<I/σ(I)>	17.4
Completeness [%]	99.4
Redundancy	13.1
CC(1/2)	0.178	0.893

Crystallization Conditions

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