8AWC
Xylose Isomerase in 85% relative humidity environment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2022-02-16 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.165, 94.506, 98.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.290 - 1.750 |
| R-factor | 0.1916 |
| Rwork | 0.190 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rnf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.918 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.290 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.099 | |
| Number of reflections | 43526 | 2167 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 75.6 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.996 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 35% (w/v) PEG3350, 200 mM lithium sulfate and 10 mM Hepes/NaOH pH 7.5 |
