4X71

Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant A269T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.7
Spacegroup name	P 21 21 21
Unit cell lengths	49.410, 70.650, 114.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.401 - 2.000
R-factor	0.1917
Rwork	0.191
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.287
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.121	37.401	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.092	0.176
Rmeas	0.093
Rpim	0.028	0.031	0.058
Total number of observations	299754	9692	42963
Number of reflections	27872
<I/σ(I)>	20.6	28.5	11.2
Completeness [%]	100.0	99.3	100
Redundancy	10.8	9.7	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2M sodium citrate, 25% PEG3350