4ISZ
RNA ligase RtcB in complex with GTP alphaS and Mn(II)
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 - 2.303 |
R-factor | 0.1661 |
Rwork | 0.165 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.623 |
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 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.149 | |
Number of reflections | 73420 | |
<I/σ(I)> | 12.2 | |
Completeness [%] | 98.4 | 83.1 |
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, 1mM MnCl2, 1mM GTPalphaS, 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, 1mM MnCl2 and 1 mM GTPalphaS , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |