3N0Z
Adenylate cyclase class IV with active site ligand 3AT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.543, 37.975, 81.277 |
| Unit cell angles | 90.00, 99.08, 90.00 |
Refinement procedure
| Resolution | 16.000 - 1.700 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fjt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.823 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.069 | 0.065 | 0.411 |
| Number of reflections | 40701 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 93.7 | 99.2 | 66.2 |
| Redundancy | 7.2 | 10.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 45 mg/mL ptn, 7% PEG 5K MME, 0.1M AmS, 0.1M MES, pH 5.6, vapor diffusion, hanging drop, temperature 298K |
