9GM4
Crystal structure of elastase LasB from Pseudomonas aeruginosa PA14 in complex with 6558
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-03 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.547, 52.218, 122.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.440 - 1.510 |
| R-factor | 0.1529 |
| Rwork | 0.152 |
| R-free | 0.16970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.062 |
| Data reduction software | autoPROC (1.1.7 (20211020)) |
| Data scaling software | autoPROC (1.1.7 (20211020)) |
| Phasing software | PHASER (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.440 | 1.570 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 203049 | 4348 |
| <I/σ(I)> | 7.96 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.994 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M lithium chloride, 0.1 M HEPES pH 7.5, 25% (w/v) PEG 6000 |
