3ZWX
Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.682, 76.818, 140.333 |
| Unit cell angles | 87.85, 89.25, 89.12 |
Refinement procedure
| Resolution | 29.730 - 2.600 |
| R-factor | 0.20635 |
| Rwork | 0.203 |
| R-free | 0.27148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.711 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 75158 | |
| <I/σ(I)> | 16.1 | 1.6 |
| Completeness [%] | 96.8 | 94.1 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
