1PIU
OXIDIZED RIBONUCLEOTIDE REDUCTASE R2-D84E MUTANT CONTAINING OXO-BRIDGED DIFERRIC CLUSTER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.100, 84.600, 114.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.200 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Oxidized wildtype ribonucleotide reductase R2 without metal ions or solvent molecules |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 18.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 * | 2.340 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.068 * | 0.248 * |
| Total number of observations | 364520 * | |
| Number of reflections | 39389 * | |
| Completeness [%] | 99.4 * | 99.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | 37 * | 20% PEG 4000, 200mM NaCl, 50mM MES, 0.3% dioxane, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 310K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | pH7.6 |
| 3 | 1 | drop | EMTS | 1 (mM) | |
| 4 | 1 | reservoir | MES | 50 (mM) | pH6.0 |
| 5 | 1 | reservoir | 200 (mM) | ||
| 6 | 1 | reservoir | PEG4000 | 20 (%) | |
| 7 | 1 | reservoir | dioxane | 0.3 (%) | |
| 8 | 1 | reservoir | EMTS | 1 (mM) |
