4ISJ

RNA Ligase RtcB in complex with Mn(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	81.038, 137.704, 149.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.344
R-factor	0.1576
Rwork	0.156
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.510
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]	49.490	2.390
High resolution limit [Å]	2.344	2.350
Number of reflections	70143
<I/σ(I)>	12.2
Completeness [%]	99.6	96.9
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Crystals were grown from one part RtcB solution at 200 micromolar, mixed with one part reservoir solution, 2.1 M ammonium sulfate, 0.1 M bistris buffer. Crystals were cryoprotected in reservoir solution supplemented with 20% sucrose., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K