5F15

Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	59.648, 80.322, 150.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.888 - 3.200
R-factor	0.2242
Rwork	0.222
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.482
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.890	47.890	3.420
High resolution limit [Å]	3.200	9.050	3.200
Rmerge	0.370	0.056	1.756
Rpim	0.145	0.024	0.697
Total number of observations	90035	4014	15537
Number of reflections	12463
<I/σ(I)>	5.9	17.5	1.6
Completeness [%]	99.8	99.1	99.8
Redundancy	7.2	6.5	7.1
CC(1/2)	0.994	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	295	Protein buffer: HEPES, NaCl, DDM, Tcep; Precipitant: MES, PEG500 DME, Magnesium acetate, Sodium formate, Tcep; LCP lipids: 99% monoolein, 1% UndP