4X6U

Crystal Structure of lipase from Geobacillus stearothermophilus T6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-26
Detector	RIGAKU RAXIS
Wavelength(s)	1.56
Spacegroup name	P 21 21 21
Unit cell lengths	49.979, 71.570, 113.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.989 - 2.201
R-factor	0.1928
Rwork	0.191
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.095
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.112	0.064	0.432
Rmeas	0.121	0.071	0.468
Rpim	0.045	0.029	0.177
Total number of observations	153775
Number of reflections	21199
<I/σ(I)>	9.9
Completeness [%]	99.9	97.8	100
Redundancy	7.3	6	6.7
CC(1/2)		0.995	0.927

Crystallization Conditions

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