4FF9
Crystal Structure of cysteinylated WT SOD1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 63 |
| Unit cell lengths | 113.050, 113.050, 70.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.154 - 2.500 |
| R-factor | 0.2822 |
| Rwork | 0.276 |
| R-free | 0.33510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.254 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.154 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.560 | |
| Number of reflections | 16978 | |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 94.8 | 100 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 298 | 0.1M MES, pH 6.25, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
