7YPU
OrfE-CoA-glycylthricin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-10-05 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.358, 102.791, 386.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.778 - 2.357 |
| Rwork | 0.223 |
| R-free | 0.24040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pp9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.420 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.357 | 2.360 |
| Rmerge | 0.050 | 0.352 |
| Rmeas | 0.061 | 0.394 |
| Number of reflections | 87496 | 8500 |
| <I/σ(I)> | 39.4 | 6.5 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH 6.5 0.2 M ammonium sulfate 12.5 % PEG 8000 |
