8V16
Esterase with a monomeric cooperative, hysteresis or allokairy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9772 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.076, 105.891, 145.371 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| Rwork | 0.180 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.110 | |
| Number of reflections | 33449 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.8 | |
| CC(1/2) | 1.000 | 0.370 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5 and, 30% w/v Polyethylene glycol 8,000 |
