1A26
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH CARBA-NAD
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-07-24 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.040, 64.440, 96.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.600 - 2.250 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.23600 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1PAW |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.043 | 0.187 |
| Total number of observations | 79881 * | |
| Number of reflections | 16703 | 1089 * |
| <I/σ(I)> | 14.4 | 4 |
| Completeness [%] | 92.5 | 63 * |
| Redundancy | 4.8 | 2.7 |
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) |
