6FZD

Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant L184F/A187F/L360F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	49.860, 70.881, 113.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.628 - 1.800
R-factor	0.2126
Rwork	0.212
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6u
RMSD bond length	0.028
RMSD bond angle	1.714
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.630	1.849
High resolution limit [Å]	1.800	1.800
Rmerge	0.048
Rmeas	0.051
Number of reflections	37550
<I/σ(I)>	35.3
Completeness [%]	98.8
Redundancy	7.9
CC(1/2)	1.000

Crystallization Conditions

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