8D41
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-03-24 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.015, 91.149, 58.716 |
Unit cell angles | 90.00, 99.58, 90.00 |
Refinement procedure
Resolution | 48.920 - 2.000 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d30 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.276 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.920 | 48.870 | 2.050 |
High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
Rmerge | 0.112 | 0.042 | 0.534 |
Rmeas | 0.128 | 0.049 | 0.617 |
Rpim | 0.062 | 0.025 | 0.305 |
Total number of observations | 1819 | 10481 | |
Number of reflections | 38534 | 474 | 2656 |
<I/σ(I)> | 11.3 | 29.7 | 3 |
Completeness [%] | 96.1 | 98.5 | 90.1 |
Redundancy | 4.2 | 3.8 | 3.9 |
CC(1/2) | 0.993 | 0.987 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% w/v PEG3350,0.1 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5 |