4ERP
Crystal structure of a gemcitabine-diphosphate inhibited E. coli class Ia ribonucleotide reductase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9769 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.669, 398.906, 319.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 4.450 |
| Rwork | 0.233 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1RLR and 1PFR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.610 |
| High resolution limit [Å] | 4.450 | 4.450 |
| Number of reflections | 46069 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 90.7 | 70.6 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Precipitant solution: 25% PEG 3350, 0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 5% glycerol mixed 2:1 with protein and streak seeded from crystals grown under similar conditions. , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
