1WB5
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with syringate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-13 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.933, 108.631, 112.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.119 |
| Rwork | 0.118 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gkl |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.618 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 158021 | |
| <I/σ(I)> | 22.4 | 6.4 |
| Completeness [%] | 96.4 | 90.6 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | NA ACETATE 1M HEPES PH 7.5 100MM CD ACETATE 50MM GLYCEROL 5% |
