3ZWM
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD and product cADPR
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 | 2009-11-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.578, 76.659, 140.325 |
| Unit cell angles | 87.78, 89.19, 89.24 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.21842 |
| Rwork | 0.215 |
| R-free | 0.28453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r12 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.750 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.810 |
| Number of reflections | 84316 | |
| <I/σ(I)> | 14.3 | 1.3 |
| Completeness [%] | 96.9 | 92.4 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000 |
