4XCS
Human peroxiredoxin-1 C83S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.788, 80.128, 125.618 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.17793 |
| Rwork | 0.176 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qq2 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.036 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.400 |
| Number of reflections | 79872 | |
| <I/σ(I)> | 31.9 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 100mM imidazole, 0.8M potassium sodium tartrate, 200mM sodium chloride, pH 8.0, Temperature 295K |
