3ZWY
Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-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 | 60.286, 77.013, 140.338 |
| Unit cell angles | 87.50, 89.27, 88.99 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.2181 |
| Rwork | 0.215 |
| R-free | 0.28313 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.847 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 94870 | |
| <I/σ(I)> | 17.1 | 1.7 |
| Completeness [%] | 97.1 | 91.7 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
