4X7B

Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-04-07
Detector	RIGAKU RAXIS
Wavelength(s)	1.56
Spacegroup name	P 21 21 21
Unit cell lengths	49.810, 71.750, 114.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.272 - 2.400
R-factor	0.2063
Rwork	0.204
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.723
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]	60.778	34.230	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.044	0.178
Rmeas	0.092
Rpim	0.052	0.026	0.121
Total number of observations	48982	1834	7366
Number of reflections	16204
<I/σ(I)>	10	15.4	5.1
Completeness [%]	97.8	92.8	99.8
Redundancy	3	3.3	3.1

Crystallization Conditions

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