3ZSE
3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.630, 41.310, 93.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.290 - 1.780 |
| R-factor | 0.19566 |
| Rwork | 0.193 |
| R-free | 0.24107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qh6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.392 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.150 | 0.500 |
| Number of reflections | 15691 | |
| <I/σ(I)> | 6.4 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 200MM POTASSIUM CITRATE, 0.2M CACL2, 15% PEG3350, 8% PEG550MME, 0.1M SODIUM ACETATE PH4.6. PROTEIN AT 8 MG/ML |
