1PAX
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03-29 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.200, 64.500, 96.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.900 - 2.400 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.24400 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.900 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.065 | 0.295 |
| Number of reflections | 14941 | |
| Completeness [%] | 99.3 | 94.4 |
| Redundancy | 4.3 |
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 | 0.05 (%(w/v)) | |
| 2 | 1 | drop | protein | 3.75 (mg/ml) | |
| 3 | 1 | drop | Ap4A | 2.5 (mM) | |
| 4 | 1 | drop | PEG4000 | 8.5 (%(w/v)) | |
| 5 | 1 | drop | 2-propanol | 4 (%(v/v)) | |
| 6 | 1 | drop | Tris-HCl | 35 (mM) | |
| 7 | 1 | reservoir | PEG4000 | 17 (%(w/v)) | |
| 8 | 1 | reservoir | 2-propanol | 8 (%(v/v)) | |
| 9 | 1 | reservoir | Tris-HCl | 70 (mM) |
