8GRI
Orf1-E312A-glycine-glycylthricin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 07A |
| Synchrotron site | NSRRC |
| Beamline | TPS 07A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-26 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.294, 108.080, 133.463 |
| Unit cell angles | 89.80, 89.98, 96.34 |
Refinement procedure
| Resolution | 29.672 - 2.365 |
| Rwork | 0.207 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xqa |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.372 |
| 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 | 2.450 |
| High resolution limit [Å] | 2.365 | 2.370 |
| Rmerge | 0.086 | 0.631 |
| Number of reflections | 231222 | 23159 |
| <I/σ(I)> | 17.9 | 2.4 |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 5.1 | |
| CC(1/2) | 0.993 | 0.826 |
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 |
