3BLJ
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97908 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.210, 68.120, 158.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.200 |
| R-factor | 0.18253 |
| Rwork | 0.179 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pqf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.541 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.138 | 0.568 |
| Number of reflections | 25446 | |
| <I/σ(I)> | 9.7 | 3.2 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M Ammonium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
