3WHT
Crystal structure of ERGIC-53/MCFD2, Calcium-free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.990, 59.760, 55.070 |
| Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a4u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.491 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.434 |
| Number of reflections | 29334 | |
| <I/σ(I)> | 26.9 | 4.1 |
| Completeness [%] | 97.0 | 95.7 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 20% PEG5000 monomethyl ether, 100mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
