6FZA

Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant A187F

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	49.471, 71.260, 112.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.210 - 1.750
R-factor	0.2168
Rwork	0.216
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6u
RMSD bond length	0.030
RMSD bond angle	1.786
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]	45.270	1.802
High resolution limit [Å]	1.750	1.750
Rmerge	0.048
Rmeas	0.054
Number of reflections	35332
<I/σ(I)>	19.2
Completeness [%]	86.6
Redundancy	4.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M sodium formate, 20% PEG 3350