5L7V
Crystal Structure of BvGH123 with bond transition state analog Galthiazoline.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.504, 148.386, 147.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.000 - 2.300 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l7r |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.626 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.190 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 | 1.552 |
| Number of reflections | 51335 | |
| <I/σ(I)> | 15.6 | 1.1 |
| Completeness [%] | 93.4 | 63.6 |
| Redundancy | 7.6 | 6 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0. 1 M BisTris 16-20 % PEG MME2k |
