6Z81
TsaBD bound to the inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.999881 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.230, 69.250, 86.540 |
| Unit cell angles | 109.38, 92.00, 116.94 |
Refinement procedure
| Resolution | 42.470 - 2.310 |
| R-factor | 0.185 |
| Rwork | 0.182 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ydu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmeas | 0.137 | 0.630 |
| Number of reflections | 51130 | 1023 |
| <I/σ(I)> | 7.48 | 1.87 |
| Completeness [%] | 96.1 | 54.57 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.992 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.25 mM Lithium sulfate, 0.11 M Hepes pH 7.5 0.15 mM sodium acetate, 25% PEG 4000 |
