7AT0

Structure of the Hormone-Sensitive Lipase like EstD11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	47.883, 80.168, 144.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 1.200
R-factor	0.12404
Rwork	0.123
R-free	0.15049
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xvc
RMSD bond length	0.012
RMSD bond angle	1.581
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.118	0.994
Rmeas	0.123
Rpim	0.034	0.292
Total number of observations	2259919
Number of reflections	174770	8521
<I/σ(I)>	11.3
Completeness [%]	100.0	100
Redundancy	12.9	12.4
CC(1/2)	0.997	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	3,2M Sodium formate + 0,1M citrate pH 5.