6S3J

Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant E134C/F149C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	49.593, 71.587, 113.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.560 - 1.900
Rwork	0.224
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6u
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.560	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.092	0.755
Rmeas	0.104	0.840
Number of reflections	32174	4652
<I/σ(I)>	17.5	4.2
Completeness [%]	98.2	99
Redundancy	4.3	4.8
CC(1/2)	0.998	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M sodium citrate, 25% PEG 3350