3TKK
Crystal Structure Analysis of a recombinant predicted acetamidase/ formamidase from the thermophile thermoanaerobacter tengcongensis
Replaces: 3MJJExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-04 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.230, 152.882, 100.255 |
| Unit cell angles | 90.00, 99.49, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.990 |
| R-factor | 0.17716 |
| Rwork | 0.174 |
| R-free | 0.23682 |
| Structure solution method | MAD |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.010 | 2.040 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Rmerge | 0.041 | 0.242 |
| Number of reflections | 75255 | |
| <I/σ(I)> | 17.8 | 2.5 |
| Completeness [%] | 92.5 | 64.62 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 0.2M calcium acetate, 0.1M sodium cacodylate, 18%(W/V) PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
