4PAX
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE
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 | 1996-11 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.160, 64.550, 96.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.100 - 2.800 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1pax |
| RMSD bond length | 0.010 |
| RMSD bond angle | 23.600 * |
| 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] | 15.100 | 2.890 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.075 | 0.268 |
| Total number of observations | 40520 * | |
| Number of reflections | 9296 | |
| <I/σ(I)> | 10.5 | 7.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.4 | 4.4 |
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, 10 MM NU1025 |
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) |
