6SLA
Crystal structure of isomerase PaaG mutant - D136N with Oxepin-CoA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.156, 73.050, 130.304 |
| Unit cell angles | 90.00, 92.48, 90.00 |
Refinement procedure
| Resolution | 48.645 - 2.550 |
| Rwork | 0.201 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.585 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.645 | 2.641 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rpim | 0.273 | |
| Number of reflections | 45527 | 3708 |
| <I/σ(I)> | 9.82 | |
| Completeness [%] | 96.8 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 50 mM KH2PO4, pH 4.5, 20-22% PEG 3350, 3% (w/v) NDSB-201 and 20% glycerol (v/v) |
