4WAB

Crystal structure of mPGES1 solved by native-SAD phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	2.0664
Spacegroup name	H 3 2
Unit cell lengths	86.720, 86.720, 180.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.360 - 2.704
R-factor	0.1808
Rwork	0.178
R-free	0.24050
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	27480
<I/σ(I)>	31.07	3.72
Completeness [%]	99.4	92
Redundancy	58.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.7	293	8 %(V/V) 2-METHYL-2,4, -PENTANEDIOL (MPD), 0.4 M POTASSIUM NITRATE, 0.1 M POTASSIUM CITRATE, 0.1 M N-(CARBAMOYLMETHYL)IMINODIACETIC ACID (ADA) SODIUM PH 6.7. CRYSTALLIZED USING THE IN MESO (LIPIDIC CUBIC PHASE, LCP) METHOD AT 4 DEGREES CELCIUS WITH THE 8.8 MONOACYLGLYCEROL (8.8 MAG) DOPED WITH 2 MOL% OF DIOLEOYL PHOSPHATIDYLCHOLINE (DOPC) AS THE HOSTING LIPID.