1EFY
CRYSTAL STRUCTURE OF THE CATALYTIC FRAGMENT OF POLY (ADP-RIBOSE) POLYMERASE COMPLEXED WITH A BENZIMIDAZOLE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.360, 64.260, 96.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.200 |
| R-factor | 0.202 |
| Rwork | 0.194 |
| R-free | 0.27400 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.591 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (98.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.061 | 0.222 |
| Total number of observations | 95006 * | |
| Number of reflections | 18995 | |
| <I/σ(I)> | 28.3 | |
| Completeness [%] | 97.9 | 95.5 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 20 * | Jung, S., (1994) J.Mol.Biol., 244, 114. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | beta-OG | 0.1 (%(w/v)) | |
| 2 | 1 | drop | protein | 7.5 (mg/ml) | |
| 3 | 1 | drop | Ap4A | 5 (mM) | |
| 4 | 1 | reservoir | Tris | 70 (mM) | |
| 5 | 1 | reservoir | PEG3400 | 19 (%) | |
| 6 | 1 | reservoir | isopropyl alcohol | 8 (%) |
