1RRC
T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-GTC-3' SSDNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.132, 92.976, 124.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.360 - 2.460 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | protein chain A of PDB entry 1LTQ |
| RMSD bond length | 0.008 |
| RMSD bond angle | 22.000 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.550 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.051 | 0.267 |
| Total number of observations | 93604 * | |
| Number of reflections | 16169 | |
| <I/σ(I)> | 15.8 | 4.7 |
| Completeness [%] | 91.3 | 77.9 |
| Redundancy | 4-5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 298 | Galburt, E.A., (2002) Structure, 10, 1249. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 40000 | ||
| 10 | 1 | 2 | MES | ||
| 11 | 1 | 2 | Tris | ||
| 12 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | Potassium chloride | ||
| 3 | 1 | 1 | MES | ||
| 4 | 1 | 1 | Tris | ||
| 5 | 1 | 1 | ATP | ||
| 6 | 1 | 1 | DTT | ||
| 7 | 1 | 1 | EDTA | ||
| 8 | 1 | 1 | H2O | ||
| 9 | 1 | 2 | Potassium chloride |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 10 (mM) | pH7.4 |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | EDTA | 0.1 (mM) | |
| 5 | 1 | drop | 0.1 (mM) | ||
| 6 | 1 | drop | protein | 1 (mg/ml) | |
| 7 | 1 | reservoir | PEG4000 | 5-10 (%) | |
| 8 | 1 | reservoir | MES | 0-5 (mM) | pH6.5 |
