4ZRW
Structure of cow mincle complexed with trehalose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.800, 97.800, 45.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.349 - 2.600 |
R-factor | 0.1546 |
Rwork | 0.152 |
R-free | 0.20750 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.158 |
Data scaling software | Aimless (0.1.26) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.900 | 48.900 | 2.720 |
High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
Rmerge | 0.102 | 0.049 | 0.481 |
Rpim | 0.054 | 0.026 | 0.271 |
Total number of observations | 33591 | 872 | 3715 |
Number of reflections | 7737 | ||
<I/σ(I)> | 9.7 | 20.1 | 2.3 |
Completeness [%] | 98.6 | 98.6 | 97.4 |
Redundancy | 4.3 | 4.2 | 4 |
CC(1/2) | 0.994 | 0.997 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | protein solution: 7.2 mg/mL mincle, 5 mM CaCl2, 10 mM Tris (pH 8.0), 25 mM NaCl and 30 mM trehalose. Reservoir solution: 2% Peg 3.35K, 0.2 MgCl2, 0.1 M Tris pH=8.5 |