1WB6
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with vanillate
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 | 2001-10-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.994, 108.462, 113.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.118 |
| Rwork | 0.117 |
| R-free | 0.14000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gkl |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.683 |
| 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 | 0.060 | 0.330 |
| Number of reflections | 157680 | |
| <I/σ(I)> | 26.3 | 3.1 |
| Completeness [%] | 99.3 | 94.7 |
| Redundancy | 4.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1M NA ACETATE 100MM HEPES PH 7.5, 50MM CD ACETATE, 5% GLYCEROL |
