6CYX
Crystal structure analysis of the L80F mutant 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 2 21 21 |
| Unit cell lengths | 73.420, 75.340, 242.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.420 - 2.300 |
| R-factor | 0.244 |
| Rwork | 0.241 |
| R-free | 0.29150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.486 |
| 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] | 75.340 | 75.340 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.168 | 0.092 | 0.721 |
| Rmeas | 0.203 | 0.150 | 0.106 |
| Rpim | 0.109 | 0.069 | 0.051 |
| Total number of observations | 99493 | ||
| Number of reflections | 40915 | 1444 | 6118 |
| <I/σ(I)> | 3.2 | ||
| Completeness [%] | 68.2 | 69.5 | 70.5 |
| Redundancy | 2.4 | 3.9 | 2.1 |
| CC(1/2) | 0.958 | 0.948 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 100mM Bis-Tris pH 6.8, 25% PEG3350 |
