1H78
STRUCTURAL BASIS FOR ALLOSTERIC SUBSTRATE SPECIFICITY REGULATION IN CLASS III RIBONUCLEOTIDE REDUCTASES: NRDD IN COMPLEX WITH DCTP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-15 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.935, 97.935, 242.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.500 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1B8B.PDB |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.100 |
| 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 | 2.530 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.081 | 0.493 |
| Number of reflections | 41517 | |
| <I/σ(I)> | 21 | 3.3 |
| Completeness [%] | 99.1 | 97.3 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PEG 400, MGCL2, HEPES, DTT, pH 7.50 |
