9BE4
The post-condensation state of the dimodular NRPS protein LgrA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 184.406, 426.580, 77.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.870 - 3.000 |
| R-factor | 0.2189 |
| Rwork | 0.218 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.558 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmeas | 0.268 | 1.558 |
| Rpim | 0.084 | 0.551 |
| Number of reflections | 123053 | 5930 |
| <I/σ(I)> | 7.8 | 1 |
| Completeness [%] | 99.8 | 98.1 |
| Redundancy | 10.1 | 7.4 |
| CC(1/2) | 0.985 | 0.348 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296.15 | 1.0M sodium tartrate pH 7.0. 10mM Manganese Chloride |
