5KTH
Structure of cow mincle complexed with brartemicin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.332, 98.332, 45.636 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.450 - 2.210 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.21000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4zrw |
RMSD bond length | 0.014 |
RMSD bond angle | 0.983 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.450 | 33.450 | 2.270 |
High resolution limit [Å] | 2.200 | 9.060 | 2.200 |
Rmerge | 0.078 | 0.054 | 0.357 |
Number of reflections | 13146 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.5 | 96.8 | 97.8 |
Redundancy | 5 | 4.4 | 5 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | protein solution: 4.1 mg/mL mincle, 5 mM CaCl2, 10 mM Tris (pH 8.0), 25 mM NaCl and 5 mM brartemicin. Reservoir solution: 25% Peg 3.35K, 0.2 NaCl2, 0.1 M Bis-Tris pH=5.5. |