4UPG
X-ray structure of calcium-free human sorcin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 106.450, 106.450, 77.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.590 - 2.100 |
| R-factor | 0.18324 |
| Rwork | 0.181 |
| R-free | 0.21974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1juo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.462 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.590 |
| Number of reflections | 197835 | |
| <I/σ(I)> | 14.82 | 3.61 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG4000, 0.3 M AMMONIUM SULFATE |
