5TRD

Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-06
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	58.411, 95.040, 61.262
Unit cell angles	90.00, 113.51, 90.00

Refinement procedure

Resolution	49.983 - 1.850
R-factor	0.1764
Rwork	0.174
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cta
RMSD bond length	0.007
RMSD bond angle	0.949
Data scaling software	Aimless (0.2.8)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.040	95.040	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.060	0.026	0.603
Rmeas	0.071
Rpim	0.037
Total number of observations	182052
Number of reflections	50639
<I/σ(I)>	14
Completeness [%]	96.9	77.9	78.9
Redundancy	3.6	3.3	2.8
CC(1/2)	0.998	0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	Crystallization conditions consisted of 0.5 ?L of protein (25 mg ml-1, 1.25 mM ds-DNA, 5 mM CTP) combined with 0.5 ?L of reservoir (0.1M phosphate citrate pH 4.2, 40% ethanol, 5% (w/v) PEG1000)