4IT0

Structure of the RNA ligase RtcB-GMP/Mn(II) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	81.108, 138.912, 149.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.748 - 2.400
R-factor	0.1531
Rwork	0.152
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.482
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.139
Number of reflections	66508
<I/σ(I)>	14.9
Completeness [%]	100.0	100
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Crystals were grown from one part RtcB+GMP covalent adduct solution at 200 micromolar, mixed with one part reservoir solution, 2.0 M ammonium sulfate, 0.1 M HEPES buffer. Crystals were cryoprotected in reservoir solution supplemented with 20% sucrose. , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K