3ZWP
Crystal structure of ADP ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.1 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 | 61.034, 77.610, 140.221 |
| Unit cell angles | 87.91, 89.24, 88.16 |
Refinement procedure
| Resolution | 30.000 - 2.110 |
| R-factor | 0.18822 |
| Rwork | 0.185 |
| R-free | 0.24109 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.954 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.410 |
| Number of reflections | 141088 | |
| <I/σ(I)> | 22.8 | 2.2 |
| Completeness [%] | 95.1 | 80.8 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M IMIDAZOLE, PH 7.5, 12-14% PEG 4000. |
