8E72
Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.406, 94.406, 288.014 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.760 - 1.950 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8dhv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.078 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.710 | 89.710 | 2.050 |
| High resolution limit [Å] | 1.950 | 6.160 | 1.950 |
| Rmerge | 0.149 | 0.040 | 2.219 |
| Rmeas | 0.159 | 0.043 | 2.353 |
| Rpim | 0.053 | 0.015 | 0.771 |
| Total number of observations | 824185 | 25858 | 123853 |
| Number of reflections | 95127 | 3262 | 13839 |
| <I/σ(I)> | 9.8 | 34.1 | 1.1 |
| Completeness [%] | 99.2 | 97.6 | 100 |
| Redundancy | 8.7 | 7.9 | 8.9 |
| CC(1/2) | 0.998 | 0.999 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.4 M ammonium sulfate, 0.1 M MOPS |
