4UXX

Structure of delta4-DgkA with AMPPCP in 9.9 MAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-01
Detector	MARRESEARCH
Wavelength(s)	1.03320, 1.28238
Spacegroup name	P 31 2 1
Unit cell lengths	72.940, 72.940, 195.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.075 - 2.701
R-factor	0.2212
Rwork	0.219
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze5
RMSD bond length	0.012
RMSD bond angle	0.749
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.070	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.120	0.860
Number of reflections	17218
<I/σ(I)>	11.9	1.6
Completeness [%]	99.3	94.1
Redundancy	9.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	277	7-10 %(V/V) 2-METHYL-2, 4-PENTANEDIOL (MPD), 0.1 M SODIUM CHLORIDE, 0.1 M LITHIUM NITRATE, 0.1 M SODIUM CITRATE/HCL PH 5.6. CRYSTALLIZED USING THE IN MESO (LIPID CUBIC PHASE) METHOD AT 4 DEGREES CELCIUS WITH THE 9.9 MONOACYLGLYCEROL (MONOOLEIN, 9.9 MAG) AS THE HOSTING LIPID.CRYSTALS WERE SOAKED WITH 5-10 MM AMPPCP, 60 MM ZINC ACETATE BEFORE HARVESTING.