1H79
STRUCTURAL BASIS FOR ALLOSTERIC SUBSTRATE SPECIFICITY REGULATION IN CLASS III RIBONUCLEOTIDE REDUCTASES: NRDD IN COMPLEX WITH DTTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 98.099, 98.099, 243.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 2.900 |
R-factor | 0.223 * |
Rwork | 0.221 |
R-free | 0.26200 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1B8B.PDB |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.970 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.050 | 0.217 |
Number of reflections | 26786 | |
<I/σ(I)> | 21.8 | 5.8 |
Completeness [%] | 99.0 * | 98.4 |
Redundancy | 3.7 |
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) |