4BPM

Crystal structure of a human integral membrane enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-02
Detector	DECTRIS PILATUS 6M
Spacegroup name	H 3 2
Unit cell lengths	86.400, 86.400, 181.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.639 - 2.080
R-factor	0.2009
Rwork	0.200
R-free	0.21820
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.640	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.090	0.820
Number of reflections	15904
<I/σ(I)>	9.9	2.5
Completeness [%]	99.7	99.6
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.7	277	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.