3DTZ
Crystal structure of Putative Chlorite dismutase TA0507
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.403, 135.728, 74.147 |
| Unit cell angles | 90.00, 110.33, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.810 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20591 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.074 | 0.425 |
| Number of reflections | 110752 | |
| <I/σ(I)> | 4.52 | 3.96 |
| Completeness [%] | 98.9 | 91.5 |
| Redundancy | 6.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 297 | 0.1M Tris pH 7.8, 0.2M Ammonium Formate, 18%PEG3350., pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
