1H79
STRUCTURAL BASIS FOR ALLOSTERIC SUBSTRATE SPECIFICITY REGULATION IN CLASS III RIBONUCLEOTIDE REDUCTASES: NRDD IN COMPLEX WITH DTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.099, 98.099, 243.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.900 |
| R-factor | 0.223 * |
| Rwork | 0.221 |
| R-free | 0.26200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1B8B.PDB |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.050 | 0.217 |
| Number of reflections | 26786 | |
| <I/σ(I)> | 21.8 | 5.8 |
| Completeness [%] | 99.0 * | 98.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | Logan, D.T., (1999) Science, 283, 1499. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES-NaOH | 0.1 (M) | pH7.5 |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | dithiothreitol | 5-7 (mM) | |
| 4 | 1 | reservoir | PEG400 | 26-32 (%) | |
| 5 | 1 | drop | protein | 20-30 (mg/ml) |
