8J40
Crystal Structure of CATB8 in complex with chloramphenicol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 128.548, 128.548, 128.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.300 - 1.570 |
| R-factor | 0.1564 |
| Rwork | 0.156 |
| R-free | 0.16330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.078 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.140 | 0.671 |
| Number of reflections | 49090 | 2318 |
| <I/σ(I)> | 40 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 19 | |
| CC(1/2) | 0.999 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | 1.5 M Ammonium sulfate + 0.1 M Tris pH 8.5 + 12% v/v Glycerol |
