6A12

X-ray structure of lipase from Geobacillus thermoleovorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-06-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.140, 72.291, 112.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.025 - 2.145
R-factor	0.1749
Rwork	0.173
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ku0
RMSD bond length	0.008
RMSD bond angle	1.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.106	0.297
Number of reflections	22506	509
<I/σ(I)>	11.7
Completeness [%]	97.3	47
Redundancy	5.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	293	0.1M Sodium cacodylate buffer, pH 6.83, 0.4M magnesium acetate, 15% PEG 8000