4TQ6

Structure of a UbiA homolog from Archaeoglobus fulgidus bound to Cd2+

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	2013-07-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	C 2 2 21
Unit cell lengths	52.938, 89.871, 341.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.336 - 3.068
R-factor	0.2669
Rwork	0.265
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tq5
RMSD bond length	0.009
RMSD bond angle	1.474
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.336	42.336	3.230
High resolution limit [Å]	3.067	9.700	3.067
Rmerge		0.013	0.643
Rmeas	0.068
Rpim	0.037	0.013	0.446
Total number of observations	49271	1390	7288
Number of reflections	15560
<I/σ(I)>	15.8	47.8	2.4
Completeness [%]	98.9	85.6	99.3
Redundancy	3.2	3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	30% PEG 550 MME, 100 mM MES, 100 mM CdCl2, 5 mM MgCl2