3T81
Crystal Structure of diiron adenine deaminase
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 | 2010-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.662, 131.845, 69.628 |
| Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
| Resolution | 48.890 - 2.630 |
| R-factor | 0.19025 |
| Rwork | 0.185 |
| R-free | 0.28726 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 3nqb |
| RMSD bond length | 0.042 |
| RMSD bond angle | 3.225 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.680 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.100 | 0.780 |
| Number of reflections | 32849 | |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.6 | 93.9 |
| Redundancy | 7.5 | 6 |
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 |
