6FZ9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.975997
Spacegroup name	P 21 21 21
Unit cell lengths	49.960, 71.260, 113.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.715 - 1.246
R-factor	0.1591
Rwork	0.158
R-free	0.17710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6u
RMSD bond length	0.027
RMSD bond angle	1.646
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.715	1.260
High resolution limit [Å]	1.246	1.246
Rmerge	0.060
Rmeas	0.067
Number of reflections	113094
<I/σ(I)>	14.1
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.999

Crystallization Conditions

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