4TQ4

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

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	2014-02-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97890
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	39.083 - 2.502
R-factor	0.2173
Rwork	0.215
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tq3
RMSD bond length	0.008
RMSD bond angle	1.167
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.116	0.069	0.672
Total number of observations	173584
Number of reflections	51825
<I/σ(I)>	6.6
Completeness [%]	99.2	98.8	98.6
Redundancy	3.3	3.5	2.9

Crystallization Conditions

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