7XM7
Crystal Structure of the CBP in complex with the Y08188
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 197 |
| Detector technology | PIXEL |
| Collection date | 2018-11-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97906 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.969, 90.180, 59.110 |
| Unit cell angles | 90.00, 111.50, 90.00 |
Refinement procedure
| Resolution | 55.000 - 2.360 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.578 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.180 | 90.180 | 2.450 |
| High resolution limit [Å] | 2.360 | 8.830 | 2.360 |
| Rmerge | 0.200 | 0.150 | 0.357 |
| Rmeas | 0.248 | 0.179 | 0.425 |
| Rpim | 0.128 | 0.097 | 0.224 |
| Total number of observations | 1185 | 5986 | |
| Number of reflections | 20023 | 398 | 2106 |
| <I/σ(I)> | 3.4 | 4.9 | 2 |
| Completeness [%] | 92.5 | 91.4 | 92.3 |
| Redundancy | 2.9 | 3 | 2.8 |
| CC(1/2) | 0.946 | 0.969 | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350 0.2M NH4NO3 PH6.2 |
