3PAX
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3-METHOXYBENZAMIDE
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 | 1995-10-18 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.930, 64.310, 96.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.400 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1pax |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.420 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.072 | 0.394 |
| Total number of observations | 56084 * | |
| Number of reflections | 15091 | |
| <I/σ(I)> | 9.7 | 3.2 |
| Completeness [%] | 99.0 * | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | PROTEIN WAS CRYSTALLIZED FROM 12% PEG 600, 6% ISOPROPANOL, 100 MM TRIS, PH 8.5, 5MM 3-METHOXYBENZAMIDE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5 (mg/ml) | |
| 2 | 1 | drop | beta-octylglucoside | 0.1 (%(w/v)) | |
| 3 | 1 | drop | Ap4A | 5 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 17 (%(w/v)) | |
| 5 | 1 | reservoir | 2-propanol | 8 (%(v/v)) | |
| 6 | 1 | reservoir | Tris-HCl | 70 (mM) |
