3HFF
Monomeric human Cu,Zn Superoxide dismutase without Zn ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9083 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 36.670, 36.670, 144.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.130 - 2.200 |
| R-factor | 0.22914 |
| Rwork | 0.224 |
| R-free | 0.28087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.397 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.059 | 0.490 |
| Number of reflections | 5811 | |
| <I/σ(I)> | 14.35 | 2.17 |
| Completeness [%] | 93.2 | 82.7 |
| Redundancy | 4.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 16% PEG 6000, 10% Jeffamine M-600 (pH 7.0), 0.1M Tris-HCl (pH 8.0), 0.1M ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
