10BV
Loop mutant of a chlorogenic acid esterase from Lactobacillus helveticus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 109.970, 99.505, 162.947 |
| Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
| Resolution | 51.780 - 3.050 |
| R-factor | 0.2543 |
| Rwork | 0.251 |
| R-free | 0.30870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.692 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.390 | 3.210 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.249 | 1.081 |
| Rpim | 0.238 | 1.028 |
| Number of reflections | 32377 | 4820 |
| <I/σ(I)> | 4 | 1.4 |
| Completeness [%] | 97.4 | 99.3 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.573 | 0.339 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | lithium chloride, citric acid, PEG 6000, spermine |
