3NQB
Crystal Structure of Adenine Deaminase from Agrobacterium tumefaciens (str. C 58)
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 | 2010-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.101, 130.970, 69.999 |
| Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
| Resolution | 39.740 - 2.210 |
| R-factor | 0.1753 |
| Rwork | 0.172 |
| R-free | 0.23462 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.750 | 2.280 |
| High resolution limit [Å] | 2.205 | 2.200 |
| Rmerge | 0.119 | 0.463 |
| Number of reflections | 53436 | |
| <I/σ(I)> | 9.8 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES 7.5, 25% (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
