3HKV
Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide
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 | 2009-03-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 97.380, 97.380, 121.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.840 - 2.100 |
| R-factor | 0.19801 |
| Rwork | 0.196 |
| R-free | 0.24196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.506 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.093 | 0.722 |
| Number of reflections | 34589 | |
| <I/σ(I)> | 15.3 | 4 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.49M NaH2PO4, 0.9M K2HPO4, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
