4NIP
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.895432 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 50.128, 4.843, 18.142 |
| Unit cell angles | 90.00, 99.50, 90.00 |
Refinement procedure
| Resolution | 24.850 - 1.900 |
| R-factor | 0.2339 |
| Rwork | 0.232 |
| R-free | 0.24850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.316 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.000 | 90.000 | 2.050 |
| High resolution limit [Å] | 1.900 | 3.250 | 1.900 |
| Rmerge | 0.144 | 0.111 | 0.206 |
| Number of reflections | 415 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 95.2 | 100 | 89.2 |
| Redundancy | 2.4 | 2.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1 M sodium acetate pH 4.5, 1.75 M ammonium sulfate, vapor diffusion, hanging drop, temperature 298K |
