4ZRV
Structure of cow mincle CRD complexed with trehalose mono butyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033170 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.464, 46.676, 77.920 |
| Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
| Resolution | 38.223 - 2.095 |
| R-factor | 0.1655 |
| Rwork | 0.163 |
| R-free | 0.20760 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.106 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.223 | 38.223 | 2.210 |
| High resolution limit [Å] | 2.095 | 6.630 | 2.100 |
| Rmerge | 0.024 | 0.467 | |
| Rmeas | 0.096 | ||
| Rpim | 0.044 | 0.013 | 0.249 |
| Total number of observations | 122769 | 3908 | 16465 |
| Number of reflections | 27266 | ||
| <I/σ(I)> | 13.7 | 39.9 | 3.5 |
| Completeness [%] | 98.0 | 97 | 95.1 |
| Redundancy | 4.5 | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | protein solution: 2.1 mg/mL mincle, 2.5 mM CaCl2 and 33 mM tmb. Reservoir solution: 20% Peg 4K, 20% 2-Propanol and 0.1 M Sodium Acetate pH=5.6 |
