4K22

Structure of the C-terminal truncated form of E.Coli C5-hydroxylase UBII involved in ubiquinone (Q8) biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.980110
Spacegroup name	P 21 21 2
Unit cell lengths	94.730, 124.140, 71.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.980 - 2.000
R-factor	0.1643
Rwork	0.163
R-free	0.19810
Structure solution method	SAD then MR
RMSD bond length	0.012
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.980
High resolution limit [Å]	2.000
Rmerge	0.067
Number of reflections	58014
<I/σ(I)>	14.5
Completeness [%]	99.5
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.1M Tris pH 8.5, 12% PEG 4000, 0.1M NaCl, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
2	VAPOR DIFFUSION, HANGING DROP	9	292	0.1M BisTris-propane pH 9.0, 14% PEG 4000, 0.1M NaCl, 0.15M MgCl2', VAPOR DIFFUSION, HANGING DROP, temperature 292K