3ZWW
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 | 60.962, 77.522, 140.503 |
| Unit cell angles | 88.00, 89.16, 88.29 |
Refinement procedure
| Resolution | 29.860 - 2.300 |
| R-factor | 0.20269 |
| Rwork | 0.200 |
| R-free | 0.25736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.840 |
| 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 | 0.120 | 0.530 |
| Number of reflections | 106984 | |
| <I/σ(I)> | 9.9 | 1.2 |
| Completeness [%] | 95.5 | 83.6 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
