5XXH
Crystal Structure Analysis of the CBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-03-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97791 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 44.320, 44.320, 121.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.430 - 1.620 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nyx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.330 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.650 | 1.640 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.085 | 0.335 |
| Rmeas | 0.088 | 0.344 |
| Rpim | 0.021 | 0.080 |
| Total number of observations | 322175 | 16584 |
| Number of reflections | 18496 | 894 |
| <I/σ(I)> | 22.2 | 9.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.4 | 18.6 |
| CC(1/2) | 0.998 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 30% PEG 3350, 0.2M MgCl2, 0.1M Tris HCl, PH 8.5 |
