4UXW

Structure of delta4-DgkA-apo 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	2011-07-21
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	72.800, 72.800, 199.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.733 - 3.150
R-factor	0.2267
Rwork	0.224
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze5
RMSD bond length	0.016
RMSD bond angle	1.286
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]	45.730	3.230
High resolution limit [Å]	3.150	3.150
Rmerge	0.130	1.500
Number of reflections	11151
<I/σ(I)>	11.9	1.4
Completeness [%]	99.7	99.8
Redundancy	10.7	11

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 (LIPIDIC CUBIC PHASE) METHOD AT 4 DEGREES CELCIUS WITH THE 9.9 MONOACYLGLYCEROL (9.9 MAG) AS THE HOSTING LIPID.