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 |