1GKK
Feruloyl esterase domain of XynY from clostridium thermocellum
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2000-12-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9754,0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.381, 108.793, 113.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.17300 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.600 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.055 | 0.224 |
| Number of reflections | 106584 | |
| <I/σ(I)> | 15 | 3 |
| Completeness [%] | 99.1 | 95.1 |
| Redundancy | 3.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | HEPES PH 7.5 100MM, NA ACETATE 1M, CD ACETATE 50 MM, GLYCEROL 5% |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 4 | 1 | reservoir | 50 (mM) | ||
| 5 | 1 | reservoir | glycerol | 5 (%(v/v)) | |
| 6 | 1 | reservoir | sodium acetate | 1 (M) |
