12NT
Crystal structure of a GH26 enzyme (EiGH26a) in complex with Glucose-beta-1,4-Mannose
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 | 2025-10-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.977200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.375, 65.116, 84.385 |
| Unit cell angles | 90.00, 111.34, 90.00 |
Refinement procedure
| Resolution | 45.190 - 1.200 |
| R-factor | 0.1585 |
| Rwork | 0.158 |
| R-free | 0.16670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.790 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.190 | 45.190 | 1.280 |
| High resolution limit [Å] | 1.200 | 3.600 | 1.200 |
| Rmerge | 0.036 | 0.021 | 0.767 |
| Rmeas | 0.049 | 0.026 | 1.085 |
| Number of reflections | 101455 | 1414 | 6273 |
| <I/σ(I)> | 6.92 | ||
| Completeness [%] | 96.9 | ||
| Redundancy | 6.6 | ||
| CC(1/2) | 0.998 | 0.998 | 0.407 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2M magnesium chloride hexahydrate; 0.1M tris hydrochloride pH 8.5; 30% (w/v) PEG 4000 |
