6HW1

ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	295
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 61
Unit cell lengths	142.652, 142.652, 80.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.055 - 2.500
R-factor	0.1733
Rwork	0.172
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gwl
RMSD bond length	0.003
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.086	0.900
Rmeas	0.114	1.200
Rpim	0.075	0.800
Number of reflections	31982	3668
<I/σ(I)>	6.3	0.8
Completeness [%]	98.5	98.9
Redundancy	3.2	3.1
CC(1/2)	0.994	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7.5	293	300 mM Na/K Phosphate, 50 mM NaAc pH 4.5. COUNTER-DIFFUSION IN CHIPX MICROFLUIDIC DEVICE