4OH2
Crystal Structure of Cu/Zn Superoxide Dismutase I149T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 165.099, 203.811, 144.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.102 - 2.384 |
| R-factor | 0.1639 |
| Rwork | 0.163 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.452 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.209 | 0.127 | 0.714 |
| Number of reflections | 95372 | ||
| <I/σ(I)> | 18 | ||
| Completeness [%] | 98.6 | 99.2 | 75.6 |
| Redundancy | 6.4 | 6.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 100mM NaCl, 100mM Tris-HCl pH 7.6, 2.8M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
