6JD9

Proteus mirabilis lipase mutant - I118V/E130G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 32
Unit cell lengths	65.310, 65.310, 63.591
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 1.580
R-factor	0.14
Rwork	0.139
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	2.353
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.590	63.590	1.610
High resolution limit [Å]	1.580	8.650	1.580
Rmerge	0.082	0.090	0.130
Rmeas	0.091	0.105	0.144
Rpim	0.039	0.052	0.061
Number of reflections	41629	252	2059
<I/σ(I)>	16.3
Completeness [%]	100.0	97.5	100
Redundancy	5.7	4.7	5.5
CC(1/2)	0.992	0.891	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M HEPES pH 7.5, 70% MPD