3WHU
Crystal structure of ERGIC-53/MCFD2, Calcium/Man2-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.680, 58.710, 56.430 |
| Unit cell angles | 90.00, 109.68, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a4u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.519 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.059 | 0.413 |
| Number of reflections | 9776 | |
| <I/σ(I)> | 27.8 | 4 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 20% PEG5000 monomethyl ether, 100mM Bis-Tris, 10mM CaCl2, 10mM alpha2-mannobiose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
