3ZWV
Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom
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 | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.146, 76.481, 141.366 |
| Unit cell angles | 88.09, 90.88, 91.02 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.21808 |
| Rwork | 0.215 |
| R-free | 0.27689 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.819 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.310 |
| Number of reflections | 100035 | |
| <I/σ(I)> | 17 | 1.9 |
| Completeness [%] | 87.1 | 70.1 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
