7XX0
C281S glycylthricin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2021-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.700, 108.110, 135.821 |
| Unit cell angles | 90.11, 89.95, 96.61 |
Refinement procedure
| Resolution | 29.850 - 2.199 |
| Rwork | 0.184 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xqa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.408 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.199 | 2.200 |
| Rmerge | 0.059 | 0.523 |
| Rmeas | 0.067 | 0.595 |
| Rpim | 0.031 | 0.282 |
| Number of reflections | 289676 | 28516 |
| <I/σ(I)> | 24.9 | 3.6 |
| Completeness [%] | 97.5 | 96.3 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl pH8.5, 0.2 M KBr, 8 % PEG 550 MME and 8 % PEG 20000 |
