1ORP
Structure of a Trapped Endonuclease III-DNA Covalent Intermediate: Estranged-Adenine 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 | 2003-01-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9363 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.732, 106.516, 41.661 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.200 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.26200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1orn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 19.100 * |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.056 | 0.341 |
| Number of reflections | 15614 | |
| <I/σ(I)> | 24 | 4.4 |
| Completeness [%] | 97.9 | 99.2 |
| Redundancy | 5.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG 8000, Tris, beta-mercaptoethanol , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | Tris | ||
| 3 | 1 | 1 | beta-mercaptoethanol | ||
| 4 | 1 | 2 | PEG 8000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
| 2 | 1 | reservoir | PEG8000 | 20-25 (%(w/v)) | |
| 3 | 1 | reservoir | 5 (mM) |
