4TQ3

Structure of a UbiA homolog from Archaeoglobus fulgidus bound to GPP and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	54.605, 218.922, 65.292
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	30.338 - 2.408
R-factor	0.223
Rwork	0.221
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tq5
RMSD bond length	0.008
RMSD bond angle	1.190
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.101	0.062	0.488
Total number of observations	182679
Number of reflections	54488
<I/σ(I)>	8.8
Completeness [%]	92.6	98.7	91.7
Redundancy	3.4	3.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	34% PEG 400, 100 mM Tris-HCL, 100 mM NaCl, 100 mM MgCl2, 1-oleoyl-rac-glycerol