9IR1
Crystal structure of CTB10-M40BpA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.326, 65.581, 49.183 |
| Unit cell angles | 90.00, 94.15, 90.00 |
Refinement procedure
| Resolution | 39.280 - 1.770 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9iku |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.952 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.280 | 1.834 |
| High resolution limit [Å] | 1.770 | 1.771 |
| Rmerge | 0.094 | 0.370 |
| Rmeas | 0.102 | 0.407 |
| Rpim | 0.039 | 0.165 |
| Number of reflections | 23307 | 1844 |
| <I/σ(I)> | 13.51 | 5.18 |
| Completeness [%] | 94.6 | 76.17 |
| Redundancy | 6.6 | 5.7 |
| CC(1/2) | 0.994 | 0.922 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES pH 7.5, 2.0 M Ammonium sulfate, 2%(W/V) PEG 200 |
