3NJ3
Crystal structure of xylanase 10B from Thermotoga petrophila RKU-1 in complex with xylobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.338, 58.576, 61.659 |
| Unit cell angles | 84.90, 70.86, 68.93 |
Refinement procedure
| Resolution | 31.280 - 1.880 |
| R-factor | 0.23395 |
| Rwork | 0.231 |
| R-free | 0.29852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.864 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.280 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.112 | |
| Number of reflections | 53633 | |
| Completeness [%] | 94.1 | 92.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 291 | PEG 8000, glycerol, litium sulfate, sodium acetate, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
