2HVR
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.569, 106.160, 125.329 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.450 |
| Rwork | 0.236 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hvq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.066 | 0.372 |
| Number of reflections | 41212 | |
| <I/σ(I)> | 17.7 | 2.7 |
| Completeness [%] | 99.0 | 97.5 |
| Redundancy | 5.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Bis-Tris, 22% PEG-4000, 9% PEG-6000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Bis-Tris | ||
| 2 | 1 | 1 | PEG-4000 | ||
| 3 | 1 | 1 | PEG-6000 | ||
| 4 | 1 | 1 | HOH | ||
| 5 | 1 | 2 | Bis-Tris | ||
| 6 | 1 | 2 | PEG-4000 | ||
| 7 | 1 | 2 | PEG-6000 | ||
| 8 | 1 | 2 | HOH |
