3ZWO
Crystal structure of ADP ribosyl cyclase complexed with reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-29 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.570, 76.422, 139.710 |
| Unit cell angles | 87.80, 89.09, 89.32 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.17941 |
| Rwork | 0.177 |
| R-free | 0.22779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.011 |
| 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] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.450 |
| Number of reflections | 163820 | |
| <I/σ(I)> | 19.6 | 2.3 |
| Completeness [%] | 97.4 | 96 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
