1H7A
Structural basis for allosteric substrate specificity regulation in class III ribonucleotide reductases: NRDD in complex with dATP
Replaces: 1B8BExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-07-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.360, 98.360, 244.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.750 |
| R-factor | 0.216 * |
| Rwork | 0.215 |
| R-free | 0.25900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1B8B.PDB |
| RMSD bond length | 0.013 |
| RMSD bond angle | 23.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.810 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.090 | 0.358 |
| Number of reflections | 29688 | |
| <I/σ(I)> | 8.7 | 1 |
| Completeness [%] | 92.0 | 70 |
| Redundancy | 2.6 |
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) |
