9IKU
Crystal structure of Se-Met CTB10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-12-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.890, 87.740, 85.880 |
| Unit cell angles | 90.00, 116.81, 90.00 |
Refinement procedure
| Resolution | 57.720 - 2.300 |
| R-factor | 0.19401 |
| Rwork | 0.191 |
| R-free | 0.25614 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.608 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.720 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.092 | 0.916 |
| Rmeas | 0.099 | 0.989 |
| Rpim | 0.037 | 0.368 |
| Number of reflections | 47668 | 4790 |
| <I/σ(I)> | 17.43 | 2.41 |
| Completeness [%] | 98.6 | |
| Redundancy | 6.8 | 7.1 |
| CC(1/2) | 0.998 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 18% isopropanol, 0.1 M sodium citrate tribasic dehydrate pH 5.5, 24%(W/V) PEG 4000 |
