5H6G

Crystal structure of a thermostable lipase from Marine Streptomyces

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	129.500, 129.500, 137.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.760 - 2.340
R-factor	0.1929
Rwork	0.191
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h6b
RMSD bond length	0.012
RMSD bond angle	1.530
Data scaling software	Aimless (0.1.30)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.750	64.750	2.410
High resolution limit [Å]	2.340	9.930	2.340
Rmerge	0.099	0.037	0.929
Rmeas	0.104	0.039	0.977
Rpim	0.032	0.013	0.300
Total number of observations	590046	7666	47040
Number of reflections	56185
<I/σ(I)>	15.4	48.5	1.7
Completeness [%]	99.2	99.1	98.8
Redundancy	10.5	9.3	10.4
CC(1/2)	0.998	0.997	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.0M Sodium phosphate monobasic monohydrate, Potassium phosphate dibasic (pH 5.0)