6DQY
Crystal Structure analysis of Superoxide Dismutase from Trichoderma reesei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.770, 113.060, 162.710 |
| Unit cell angles | 91.59, 93.79, 89.98 |
Refinement procedure
| Resolution | 81.146 - 2.300 |
| R-factor | 0.1643 |
| Rwork | 0.162 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.777 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 93.980 | 93.980 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.084 | 0.036 | 0.301 |
| Rmeas | 0.098 | 0.072 | 0.042 |
| Rpim | 0.049 | 0.036 | 0.022 |
| Total number of observations | 875231 | 27269 | 123159 |
| Number of reflections | 226540 | 7219 | 32634 |
| <I/σ(I)> | 11.8 | 22 | 4.4 |
| Completeness [%] | 97.2 | 97.8 | 96.2 |
| Redundancy | 3.9 | 3.8 | 3.8 |
| CC(1/2) | 0.995 | 0.997 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 100mM Bis-Tris pH 7.0, 25% PEG3350 |
