4BAG
Feruloyl Esterase Domain of XYNY from Clostridium thermocellum after exposure to 266nm UV laser
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION GEMINI |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-16 |
| Detector | AGILENT |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.370, 108.400, 112.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.860 - 1.900 |
| R-factor | 0.1682 |
| Rwork | 0.167 |
| R-free | 0.18740 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.113 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.360 |
| Number of reflections | 63630 | |
| <I/σ(I)> | 13.8 | 3.5 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 5.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | HEPES PH 7.5 100MM, NA ACETATE 1M, CD ACETATE 50 MM, GLYCEROL 5% |
