1JQC
Mn substituted Ribonucleotide reductase R2 from E. Coli oxidized by hydrogen peroxide and hydroxylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-07 |
Detector | MARRESEARCH |
Wavelength(s) | 0.88 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.848, 84.554, 114.286 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.000 - 1.610 |
R-factor | 0.176 * |
Rwork | 0.176 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 1.710 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.065 | 0.286 * |
Number of reflections | 91243 | |
Completeness [%] | 97.8 | 99.3 * |
Redundancy | 3.9 | 3.9 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 20 * | Nordlund, P., (1989) FEBS Lett., 258, 251. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 20 (%) | |
2 | 1 | reservoir | 0.2 (M) | ||
3 | 1 | reservoir | dioxane | 0.3 (%) | |
4 | 1 | reservoir | MES | 0.05 (M) | pH6.0 |
5 | 1 | reservoir | EMTS | ||
6 | 1 | drop | protein | 20 (mg/ml) |