4RAH
Crystal structure of dimeric S33C beta-2 microglobulin mutant at 1.4 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2014-06-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976256 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 32.349, 47.704, 119.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.825 - 1.400 |
| R-factor | 0.16851 |
| Rwork | 0.166 |
| R-free | 0.20944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.919 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.825 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.065 | 0.495 |
| Number of reflections | 18491 | |
| <I/σ(I)> | 10.9 | 1.9 |
| Completeness [%] | 98.7 | 86.6 |
| Redundancy | 4.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 28% v/v PEG400, 0.2 M calcium chloride dihydrate, 0.1 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
