9BE3
The pre-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 | 2022-09-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 184.816, 427.905, 77.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.740 - 2.900 |
| R-factor | 0.2166 |
| Rwork | 0.216 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.595 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.890 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmeas | 0.198 | 1.666 |
| Rpim | 0.073 | 0.694 |
| Number of reflections | 144224 | 7058 |
| <I/σ(I)> | 9.3 | 0.846 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7.2 | 5.2 |
| CC(1/2) | 0.990 | 0.336 |
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 |
