6QE2

Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	C 1 2 1
Unit cell lengths	120.600, 75.460, 85.440
Unit cell angles	90.00, 128.29, 90.00

Refinement procedure

Resolution	35.664 - 1.746
R-factor	0.1725
Rwork	0.171
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hju
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11_2563)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.664	35.664	1.790
High resolution limit [Å]	1.746	7.810	1.750
Rmerge	0.046	0.028	0.382
Rmeas	0.053	0.033	0.448
Number of reflections	60488	706	4104
<I/σ(I)>	13.67	32.05	2.33
Completeness [%]	98.6	95.5	90.7
Redundancy	3.651	3.622	3.526
CC(1/2)	0.999	0.998	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293.15	Protein solution ( 15 mg/mL in Hepes 20 mM pH 8.1, NaCl 150 mM, LDAO 0.1 %, Glycerol 10% m/m) mixed with an equal volume of PEG 3350 20 %, potassium formate 0.2 M