6HZE
BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.498, 107.376, 139.211 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 45.910 - 2.700 |
| R-factor | 0.21667 |
| Rwork | 0.213 |
| R-free | 0.28173 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.557 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.350 | 2.780 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 55515 | 4532 |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.992 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 30 mM NaF, 30 mM NaBr, 30 mM NaI, 100 mM Imidazole/MES pH 6.5, 25 % MPD, 25 % PEG 1000 and 25 % PEG 3350 |
