7B4Q
Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-18 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 109.883, 109.883, 126.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.030 - 1.610 |
| R-factor | 0.1683 |
| Rwork | 0.167 |
| R-free | 0.19320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lzk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.766 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.040 | 83.040 | 1.650 |
| High resolution limit [Å] | 1.610 | 7.200 | 1.610 |
| Rmerge | 0.106 | 0.038 | 2.260 |
| Rmeas | 0.110 | 0.040 | 2.349 |
| Rpim | 0.029 | 0.011 | 0.634 |
| Total number of observations | 1459945 | 17522 | 100341 |
| Number of reflections | 100631 | 1309 | 7339 |
| <I/σ(I)> | 13.8 | 40.3 | 1 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 14.5 | 13.4 | 13.7 |
| CC(1/2) | 0.999 | 0.999 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2M lithium chloride, 0.1M sodium acetate, 20% (w/v) PEG 6000, pH 5.0 |
